SCHEMBL20118185

SCHEMBL20118185

CCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
P2RX7 Q99572 10/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A2 P23975 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL20118169 0.87 P2RX7 (0.35) OPRM1OPRK1OPRL1P2RX7HSD11B1
SCHEMBL20118172 0.87 P2RX7 (0.35) OPRM1OPRK1OPRL1P2RX7HSD11B1
SCHEMBL20118401 0.85 PSEN1 (0.37) OPRM1OPRK1OPRL1P2RX7MEN1
SCHEMBL20118049 0.84 CASP6 (0.36) OPRM1OPRK1OPRL1P2RX7MEN1
SCHEMBL20118395 0.81 KMT2A (0.39) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118397 0.81 P2RX7 (0.35) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118389 0.76 GRM5 (0.33) OPRM1OPRK1OPRL1P2RX7ALDH1A1
SCHEMBL20118222 0.76 OPRL1 (0.34) OPRM1OPRK1OPRL1P2RX7MEN1
SCHEMBL20118223 0.76 GRM5 (0.33) OPRM1OPRK1OPRL1P2RX7ALDH1A1
SCHEMBL20118174 0.75 CRHR1 (0.40) MEN1KMT2A

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