SCHEMBL5982901

SCHEMBL5982901

CCN(CC)CCc1cc(CCN(CC)CC)c(S)c(CCN(CC)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 6/20 0.38
HTR6 P50406 1/20 0.38
HTR1D P28221 3/20 0.37
MPO P05164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR1E P28566 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
DRD1 P21728 2/20 0.33
ADRA1A P35348 2/20 0.33
DRD3 P35462 2/20 0.33
BIRC5 O15392 1/20 0.33
CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5983101 0.80 HTR1D (0.44) NOS3NOS1NOS2HRH3HTR1A
SCHEMBL3978134 0.79 TAAR1 (0.45) NOS3NOS1NOS2HRH3HTR1A
SCHEMBL28168283 0.71 ALDH1A1 (0.48) HRH3MPOTSHRHIF1AHSD17B10
SCHEMBL11133065 0.71 KCNH2 (0.52) HRH3HTR1ASIGMAR1DRD1ADRA1A
SCHEMBL11746409 0.68 MDM2 (0.40) HRH3HTR1AHTR1DHTR1BHTR2A
SCHEMBL5982523 0.68 HTR1A (0.49) HRH3HTR1AHTR6HTR1DMPO
SCHEMBL16098781 0.67 KCNH2 (0.37) HTR1AHTR6HTR1DMPOSIGMAR1
SCHEMBL3975920 0.67 DRD2 (0.56) HTR1ASIGMAR1DRD1ADRA1ADRD3
SCHEMBL10894218 0.67 KCNH2 (0.44) HRH3HTR1AHTR1DSIGMAR1HTR1B
SCHEMBL4253817 0.66 KCNH2 (0.47) HTR1AMPOSIGMAR1DRD1ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385177-B2 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. (US) 2019-08-20 US disclosed
US-20060030633-A1 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. 2006-02-09 US disclosed
US-5585412-A REACTING POLYOL, ISOCYANATE, WATER, ENCAPSULATED BLOWING AGENT, RUPTURING SHELL OF BLOWING AGENT OLIN CORPORATION (US) 1996-12-17 US disclosed
US-5328938-A Monochlorodifluoromethane as foaming agents for closed cell or semi-rigid foams BASF CORPORATION (US) 1994-07-12 US disclosed
US-5264464-A Chlorodifluoromethane BASF CORPORATION (US) 1993-11-23 US disclosed
WO-1992019670-A1 ON-SITE GENERATION OF POLYURETHANE FOAM USING AN HCFC AS A SOLE BLOWING AGENT OLIN CORPORATION (US) 1992-11-12 WO disclosed
WO-1992019681-A1 PROCESS FOR PRODUCING AN ANTIMICROBIALLY EFFECTIVE POLYURETHANE OLIN CORPORATION (US) 1992-11-12 WO disclosed
US-5114984-A Dissolving pyrithione salt in alkanolamine; polymerization of polyol and polyisocyanate OLIN CORPORATION (US) 1992-05-19 US disclosed
US-5112878-A Free of CFC blowing agents OLIN CORPORATION (US) 1992-05-12 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
EP-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed
US-4710521-A SALT OF CARBOXYLIC ACIDS AND TERTIARY AMINES THE CELOTEX CORPORATION (US) 1987-12-01 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4699932-A UREA-AND WATER-FREE OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4221877-A Modified diphenylmethane diisocyanates useful in polyurethanes or polyisocyanurates TEXACO DEVELOPMENT CORP. (US) 1980-09-09 US disclosed
US-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4126741-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed