SCHEMBL7304625

SCHEMBL7304625

O=C(NC1(c2ccccc2)CCNCC1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.53
OPRM1 P35372 3/20 0.48
OPRL1 P41146 1/20 0.48
SCN9A Q15858 5/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
POLB P06746 2/20 0.38
TTK P33981 1/20 0.38
HTR2A P28223 1/20 0.38

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
Hydrochloric Acid SCHEMBL7745884 0.98 SSTR4 (0.52) SSTR4OPRM1OPRL1SCN9AMEN1
SCHEMBL7314168 0.94 SSTR4 (0.54) SSTR4OPRM1OPRL1SCN9AHPGD
Hydrochloric Acid SCHEMBL7751607 0.93 SSTR4 (0.53) SSTR4OPRM1OPRL1SCN9AHPGD
SCHEMBL7313301 0.93 SSTR4 (0.56) SSTR4OPRM1OPRL1SCN9AGAA
Hydrochloric Acid SCHEMBL7750679 0.92 SSTR4 (0.55) SSTR4OPRM1OPRL1SCN9AGAA
SCHEMBL6972395 0.82 OPRM1 (0.50) SSTR4OPRM1HPGDHDAC1POLB
Hydrochloric Acid SCHEMBL7723494 0.81 OPRM1 (0.48) SSTR4OPRM1HPGDHDAC1POLB
SCHEMBL8368922 0.80 SSTR4 (0.42) SSTR4MEN1MAPTKMT2AHDAC1
SCHEMBL29541999 0.80 SSTR4 (0.55) SSTR4OPRM1OPRL1SCN9AMAPT
SCHEMBL4552161 0.80 SSTR4 (0.49) SSTR4OPRM1OPRL1SCN9AHPGD

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
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed