SCHEMBL20156409

SCHEMBL20156409

Cc1cc(C2CCC2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
FASN P49327 4/20 0.45
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 1/20 0.41
AR P10275 5/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL18722119 0.95 USP30 (0.47) USP30FASNMAOAMAOBTSHR
SCHEMBL15112858 0.92 USP30 (0.47) USP30FASNMAOAMAOBTSHR
SCHEMBL31335 0.86 USP30 (0.46) USP30FASNMAOAMAOBTSHR
SCHEMBL28779325 0.84 HTR2C (0.51) USP30
SCHEMBL1367052 0.84 USP30 (0.43) USP30FASNMAOAMAOBTSHR
SCHEMBL19372973 0.84 CYP11B1 (0.41) USP30FASNMAOAMAOBAR
Hydrochloric Acid SCHEMBL27608596 0.83 HTR2C (0.53) USP30
SCHEMBL17202487 0.80 TRPV4 (0.47) FASNARDRD2DRD3CYP11B1
SCHEMBL13787074 0.79 TSHR (0.42) USP30TSHRDRD2DRD3CYP11B2
SCHEMBL27718553 0.79 MAOA (0.53) MAOAMAOBARDRD2DRD3

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed