SCHEMBL8711375

SCHEMBL8711375

Cc1ccc(N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C(=O)c2cccc(N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.51
OPRM1 P35372 2/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 3/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL8711675 0.95 HTR2A (0.51) HTR2AHTR2CHTR7HTR6
SCHEMBL8713474 0.92 ACHE (0.52) PTGIRHTR2AHTR2CHTR7HTR6
SCHEMBL8714782 0.90 OPRM1 (0.53) PTGIROPRM1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL8711020 0.86 HSD11B1 (0.58) PTGIROPRM1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL8713336 0.86 HSD11B1 (0.45) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8716461 0.86 HSD11B1 (0.55) PTGIRALDH1A1SMN1; SMN2HSD11B1HTR2A
SCHEMBL8711150 0.86 MEN1 (0.53) PTGIROPRM1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL8713340 0.85 HTR2C (0.45) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8715993 0.85 HTR2A (0.50) HTR2AHTR2CHTR7HTR6
SCHEMBL8710989 0.85 HTR2A (0.56) HTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed