SCHEMBL9819892

SCHEMBL9819892

NCCCCC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
HTR2A P28223 3/20 0.50
HRH1 P35367 2/20 0.50
CYP19A1 P11511 1/20 0.48
CYP2A6 P11509 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
SIGMAR1 Q99720 4/20 0.44
CPB2 Q96IY4 2/20 0.43
ACP3 P15309 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL9819733 0.95 HTR2A (0.57) MAOAHTR2AHRH1CYP19A1CYP2A6
SCHEMBL11187960 0.87 MAOA (0.59) MAOAHTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL8466491 0.87 HRH1 (0.54) MAOAHTR2AHRH1CYP19A1CYP2A6
SCHEMBL15776714 0.85 HRH1 (0.57) MAOAHTR2AHRH1TAAR1
SCHEMBL1538332 0.84 CYP19A1 (0.54) HTR2ACYP19A1CYP2A6SMN1; SMN2TAAR1
SCHEMBL9819796 0.84 ALDH1A1 (0.55) MAOAHTR2AHRH1CYP19A1
SCHEMBL10014098 0.82 HTR2A (0.49) HTR2ACYP19A1SIGMAR1KCNH2
SCHEMBL15286352 0.81 GABBR2 (0.50) MAOAHTR2AHRH1CYP19A1CYP2A6
SCHEMBL2093783 0.80 CYP19A1 (0.49) CYP19A1SIGMAR1ACP3KCNH2
SCHEMBL2093779 0.80 CYP19A1 (0.49) CYP19A1SIGMAR1ACP3KCNH2

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
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed