SCHEMBL4023885

SCHEMBL4023885

CCn1c2c(c3cc(C#N)ccc31)CC(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.45
▸ SCARB1 Q8WTV0 4/20 0.43
▸ HRH1 P35367 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ PTGER4 P35408 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AR P10275 1/20 0.36
▸ USP14 P54578 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ PARG Q86W56 1/20 0.34

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
SCHEMBL541977 0.81 RORC (0.59) RORCSCARB1HRH1HTR6PTGER4
SCHEMBL4209635 0.79 MAOA (0.48) HRH1HTR6PTGER4KDM4ERAB9A
SCHEMBL4024468 0.77 ALDH1A1 (0.55) RORCPTGER4KDM4ERAB9A
SCHEMBL4029830 0.74 SCARB1 (0.46) RORCSCARB1PTGER4KDM4E
SCHEMBL21076080 0.73 RORC (0.52) RORCPTGER4KDM4ESLC6A4
SCHEMBL28972487 0.68 LMNA (0.45) SCARB1KDM4ERAB9A
SCHEMBL30061980 0.68 LMNA (0.45) SCARB1KDM4ERAB9A
SCHEMBL28972120 0.67 NPC1 (0.47) KDM4ERAB9APOLB
SCHEMBL29643208 0.67 PTGER4 (0.63) RORCPTGER4KDM4EPOLB
SCHEMBL5892136 0.67 PTGER4 (0.63) RORCPTGER4KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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