SCHEMBL6864172

SCHEMBL6864172

Cc1cc(C)n(C(C=O)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
XIAP P98170 1/20 0.36
RAB9A P51151 3/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL332282 0.68 KCNN4 (0.48) POLBMAPTSMN1; SMN2LMNAGLA
SCHEMBL3902187 0.68 RAB9A (0.35) POLBMAPTSMN1; SMN2LMNAGLA
SCHEMBL1120130 0.65 LMNA (0.47) POLBPKMMAPTLMNACYP2C19
SCHEMBL2454430 0.64 ALDH1A1 (0.45) SMN1; SMN2LMNAGLACYP2C19HTT
Benzylamine SCHEMBL21434120 0.64 LOXL2 (0.44) POLBPKMMAPTSMN1; SMN2CYP2C19
SCHEMBL3423392 0.63 KDM4E (0.39) MAPTSMN1; SMN2LMNAGLACYP2C19
SCHEMBL4464474 0.63 ALDH1A1 (0.39) SMN1; SMN2LMNAGLACYP2C19HTT
SCHEMBL6453093 0.63 ALDH1A1 (0.39) SMN1; SMN2LMNAGLACYP2C19HTT
SCHEMBL2764558 0.62 KDM4E (0.39) SMN1; SMN2LMNAGLACYP2C19HTT
SCHEMBL10277522 0.61 LMNA (0.44) POLBMAPTLMNAGLACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO disclosed