SCHEMBL18766697

SCHEMBL18766697

CCc1ccc2[nH]cc(CCNC)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.68
▸ HTR1D P28221 6/20 0.68
▸ HTR1B P28222 5/20 0.68
▸ MPO P05164 4/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ HTR2A P28223 4/20 0.63
▸ ALDH1A1 P00352 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ LMNA P02545 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HTR5A P47898 1/20 0.57
▸ CHRNB2 P17787 1/20 0.55
▸ CHRNA7 P36544 1/20 0.55
▸ CHRNA4 P43681 1/20 0.55
▸ CAMK2D Q13557 1/20 0.49

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
SCHEMBL12352649 0.87 KDM4E (0.69) HTR1AHTR1DHTR1BMPOKDM4E
Hydrochloric Acid SCHEMBL28573236 0.85 MPO (0.68) HTR1AHTR1DHTR1BMPOKMT2A
SCHEMBL13274051 0.84 HTR1D (0.77) HTR1AHTR1DHTR1BMPOHTR2A
SCHEMBL12013054 0.82 HTR1D (0.73) HTR1AHTR1DHTR1B
SCHEMBL4498391 0.82 MTNR1A (0.72) HTR1AHTR1DHTR1BMPOKDM4E
SCHEMBL4303662 0.81 KDM4E (0.70) HTR1AHTR1DHTR1BMPOKDM4E
SCHEMBL4512060 0.81 HTR1A (1.00) HTR1AHTR1DHTR1BMPOCYP2D6
SCHEMBL14692901 0.81 HTR1D (0.72) HTR1AHTR1DHTR1BMPOKDM4E
SCHEMBL2739183 0.81 HTR1D (0.74) HTR1AHTR1DHTR1BMPOKDM4E
SCHEMBL10716628 0.81 KDM4E (0.62) HTR1AHTR1DHTR1BMPOKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017066694-A1 WATER-SOLUBLE ELECTROLYZED/SOLVOLYZED CLINOPTILOLITE FRAGMENTS AND NUTRACEUTICAL, PHARMACEUTICAL, AND ENVIRONMENTAL PRODUCTS BASED THEREON ENTOX SOLUTIONS LLC (US) 2017-04-20 — — WO disclosed
Send feedback