SCHEMBL6990601

SCHEMBL6990601

N#Cc1cc2ccccc2n1-c1ccc(NCC2Cc3ccccc3C2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL6991503 0.81 CYP19A1 (0.39) MCHR1
SCHEMBL8291599 0.72 ALDH1A1 (0.50)
SCHEMBL9171948 0.71 TSHR (0.40)
SCHEMBL9040496 0.70 ALDH1A1 (0.36)
SCHEMBL6988003 0.70 ALDH1A1 (0.52)
Hydrochloric Acid SCHEMBL2730055 0.69 LOXL2 (0.39)
SCHEMBL7234847 0.68 KDM4E (0.46)
SCHEMBL6992299 0.68 CACNA1B (0.42)
SCHEMBL9174429 0.67 ALDH1A1 (0.39)
SCHEMBL9171600 0.66 ALDH1A1 (0.51)

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
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed