SCHEMBL3414835

SCHEMBL3414835

OCCc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
TAAR1 Q96RJ0 3/20 0.39
RORC P51449 5/20 0.38
PTGS2 P35354 1/20 0.38
NOTUM Q6P988 1/20 0.38
AKR1B1 P15121 1/20 0.37
TYK2 P29597 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIEZO1 Q92508 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6629490 0.86 TAAR1 (0.41) TRPV1TAAR1GAAL3MBTL1SMN1; SMN2
SCHEMBL12812210 0.85 TAAR1 (0.41) TAAR1RORCPTGS2AKR1B1TYK2
SCHEMBL16941916 0.81 HSD11B1 (0.41) TAAR1RORCPIEZO1SMN1; SMN2
SCHEMBL27955417 0.81 TAAR1 (0.39) TAAR1RORCPTGS2AKR1B1TYK2
SCHEMBL28177743 0.81 AKR1B1 (0.42) TRPV1RORCPTGS2AKR1B1TYK2
SCHEMBL908383 0.80 TAAR1 (0.58) TAAR1AKR1B1GAASMN1; SMN2
SCHEMBL10701891 0.78 TAAR1 (0.36) TRPV1TAAR1L3MBTL1SMN1; SMN2
SCHEMBL3012144 0.77 MEN1 (0.39) TAAR1RORCPTGS2GAAPIEZO1
SCHEMBL28177744 0.77 RORC (0.36) TAAR1RORCPTGS2AKR1B1TYK2
SCHEMBL29393476 0.77 P2RX7 (0.41) TAAR1RORCPTGS2AKR1B1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884977-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028591-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014026329-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
EP-2265616-A1 FURO-AND THIENO[3,2-C]PYRIDINES OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009100282-A1 FURO-AND THIENO[3,2-C] PYRIDINES OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed