SCHEMBL2638524

SCHEMBL2638524

C=C(Cc1ccc(C2CCC(C)(C)CC2)cc1Cl)NCCC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
HPGD P15428 1/20 0.34
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
P2RX7 Q99572 1/20 0.32
METAP2 P50579 2/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL7136172 0.74 TSHR (0.35) PPARGPPARA
SCHEMBL7136175 0.73 PPARG (0.33) PPARGPPARAMETAP2
SCHEMBL7136179 0.72 PPARG (0.33) PPARGPPARA
Hydrochloric Acid SCHEMBL7512582 0.71 OPRL1 (0.35) OPRL1PPARGPPARAKDM1AMAOA
SCHEMBL7144418 0.71 OPRL1 (0.39) OPRL1
Hydrochloric Acid SCHEMBL7512392 0.70 NPC1 (0.34) KDM1AMAOAMAOBMETAP2
Hydrochloric Acid SCHEMBL7517084 0.70 OPRL1 (0.38) OPRL1
Hydrochloric Acid SCHEMBL7517664 0.67 BCHE (0.39) KDM1AMAOAMAOBP2RX7
SCHEMBL5213321 0.65 ESR2 (0.45) PPARGPPARA
SCHEMBL2638266 0.64 P2RX7 (0.34) PPARGKDM1AMAOAMAOBP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4711579-B2 2011-06-29 JP claimed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP claimed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US claimed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP claimed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO claimed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed