SCHEMBL20118191

SCHEMBL20118191

Cc1ccc(C(=O)N[C@H]2CC[C@@]3(CC2)C(=O)N(c2ccc(F)cc2Cl)N=C3C)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.43
CRHR2 Q13324 1/20 0.43
GPR6 P46095 1/20 0.39
HPGD P15428 1/20 0.39
MAPK14 Q16539 3/20 0.39
ABL1 P00519 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.37
P2RX7 Q99572 1/20 0.37
DHODH Q02127 1/20 0.37
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ACKR3 P25106 1/20 0.35

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
SCHEMBL20118047 0.87 RORC (0.43) CRHR1CRHR2HPGDMAPK14MEN1
SCHEMBL20118412 0.85 TNKS (0.43) CRHR1CRHR2HPGDMAPK14ABL1
SCHEMBL20118038 0.82 CRHR1 (0.41) CRHR1CRHR2HPGDMAPK14MEN1
SCHEMBL20118418 0.81 CRHR1 (0.40) CRHR1CRHR2PDE4B
SCHEMBL20118117 0.80 KMT2A (0.41) CRHR1CRHR2HPGDMEN1KMT2A
SCHEMBL20118132 0.80 LMNA (0.46) CRHR1CRHR2HPGDPDE4BTNKS
SCHEMBL20118217 0.80 MAOB (0.43) CRHR1CRHR2MAPK14MEN1KMT2A
SCHEMBL20118174 0.79 CRHR1 (0.40) CRHR1CRHR2HPGDMAPK14ABL1
SCHEMBL20118235 0.79 ALDH1A1 (0.53) CRHR1CRHR2HPGDPDE4B
SCHEMBL20118108 0.79 PSEN1 (0.35) CRHR1CRHR2MEN1KMT2AP2RX7

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-2018078009-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed