SCHEMBL2302727

SCHEMBL2302727

COCCOc1ccc2c(c1)CC[N]C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL10071529 0.82 HRH3 (0.50) PPARGPPARDPPARAHRH3SMN1; SMN2
SCHEMBL5107236 0.81 HRH3 (0.63) HRH3SMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL446529 0.80 DRD1 (0.50)
SCHEMBL2297580 0.79 MAOB (0.46) HRH3SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL5905854 0.79 PPARG (0.58) PPARGPPARDPPARAHRH3SMN1; SMN2
SCHEMBL2358834 0.76 GPR3 (0.38) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL3126540 0.74 S1PR1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL444147 0.74 DRD2 (0.47) ALDH1A1KDM4E
SCHEMBL10071532 0.74 HRH3 (0.53) PPARGPPARDPPARAHRH3SMN1; SMN2
SCHEMBL2623212 0.74 HRH3 (0.53) PPARGPPARDPPARAHRH3SMN1; SMN2

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
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed