SCHEMBL18322937

SCHEMBL18322937

COc1cc(OC2CCN(CCC=O)CC2)ccc1-c1cnc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
TTK P33981 2/20 0.40
CHEK1 O14757 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE10A Q9Y233 2/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PDE4D Q08499 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FAAH O00519 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
SCHEMBL18322881 0.90 PRKCZ (0.42) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18322951 0.88 PRKCZ (0.42) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18322938 0.86 CHRNB1 (0.43) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18322853 0.84 HRH3 (0.43) PRKCZAVPR2AVPR1ATTKCHEK1
SCHEMBL18322956 0.84 PRMT5 (0.47) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18318977 0.81 PIK3CA (0.53) AVPR2AVPR1APIK3CAMTORPIK3CD
SCHEMBL18318408 0.81 AVPR2 (0.47) PRKCZAVPR2AVPR1APIK3CAHRH3
SCHEMBL18322902 0.80 PDGFRB (0.47) HRH3PDGFRBPDGFRA
SCHEMBL18322866 0.80 PDGFRB (0.47) HRH3PDGFRBPDGFRA
SCHEMBL18318841 0.79 PIK3CA (0.49) PRKCZAVPR2AVPR1APIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed