SCHEMBL7670945

SCHEMBL7670945

COc1ccc2c(c1)OCC(COS(=O)(=O)c1ccc(C)cc1)O2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
LMNA P02545 3/20 0.46
FFAR1 O14842 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6631863 1.00 MTNR1A (0.46) MTNR1ALMNAFFAR1SMN1; SMN2MAPT
SCHEMBL1041765 0.95 MTNR1A (0.51) MTNR1ALMNAFFAR1SMN1; SMN2MAPT
SCHEMBL6895073 0.95 MTNR1A (0.51) MTNR1ALMNAFFAR1SMN1; SMN2MAPT
SCHEMBL10832816 0.89 CA2 (0.51) LMNAFFAR1SMN1; SMN2MAPTCYP3A4
SCHEMBL11102654 0.86 LMNA (0.48) LMNAFFAR1SMN1; SMN2MAPTCYP3A4
SCHEMBL1043582 0.85 CA2 (0.46) MTNR1ALMNAFFAR1SMN1; SMN2MAPT
SCHEMBL9369808 0.85 CA2 (0.53) LMNAFFAR1SMN1; SMN2MAPTCYP3A4
SCHEMBL1117923 0.85 CA2 (0.53) LMNAFFAR1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL13646367 0.85 CA2 (0.53) LMNAFFAR1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6629428 0.85 CA2 (0.53) LMNAFFAR1SMN1; SMN2MAPTCYP3A4

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
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 US disclosed
EP-0445026-B1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR (FR) 1994-01-26 EP disclosed
US-5229399-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5229398-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5192775-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-09 US disclosed
EP-0445026-A1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-04 EP disclosed