SCHEMBL7106726

SCHEMBL7106726

OCCCN(CCCO)CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL2844514 0.92 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL2846583 0.92 HRH3 (0.44) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL24654745 0.89 HRH3 (0.41) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL25477672 0.89 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17495643 0.89 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL24654746 0.89 KDM4E (0.37) HRH3MAPK1ALDH1A1POLBLMNA
SCHEMBL5910804 0.89 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5910757 0.87 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17526234 0.84 HRH3 (0.55) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17526231 0.84 HRH3 (0.55) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP claimed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US claimed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP claimed
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP disclosed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US disclosed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP disclosed