SCHEMBL20161124

SCHEMBL20161124

O=C(N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1)c1cc(Br)cc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ PDE4B Q07343 3/20 0.43
▸ GRM4 Q14833 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL20142977 0.89 HPGD (0.50) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL20142976 0.89 HPGD (0.50) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL20142963 0.80 HPGD (0.46) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL20142964 0.80 HPGD (0.46) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL20139011 0.80 LMNA (0.52) HPGDPDE4BGRM4MAPTGSK3A
SCHEMBL20139008 0.80 LMNA (0.52) HPGDPDE4BGRM4MAPTGSK3A
SCHEMBL20143016 0.76 HPGD (0.49) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL20143015 0.76 HPGD (0.49) HPGDPDE4BGRM4MAPTCNR1
SCHEMBL18209027 0.75 IRAK4 (0.50) HPGD
SCHEMBL18209030 0.75 IRAK4 (0.50) HPGD

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-2018087126-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO disclosed
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