SCHEMBL9057110

SCHEMBL9057110

NCc1cc(-c2ccccc2)nn1C1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.49
CNR2 P34972 2/20 0.49
HPGD P15428 1/20 0.47
FABP3 P05413 3/20 0.42
FABP4 P15090 3/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
KCNJ6 P48051 5/20 0.41
KCNJ3 P48549 5/20 0.41
KCNJ5 P48544 4/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 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
SCHEMBL22633243 0.81 HPGD (0.57) CNR1CNR2HPGDFABP3FABP4
SCHEMBL5288319 0.78 HPGD (0.54) CNR1CNR2HPGDFABP3FABP4
SCHEMBL5288314 0.78 CNR1 (0.52) CNR1CNR2HPGDFABP3FABP4
SCHEMBL5285406 0.76 CNR1 (0.48) CNR1CNR2FABP3FABP4KCNJ6
SCHEMBL2685387 0.71 NR3C2 (0.42) HPGDKCNJ6KCNJ3KCNJ5
SCHEMBL13329771 0.69 SRC (0.47) CNR1CNR2HPGDNPC1RAB9A
SCHEMBL26342111 0.69 CA1 (0.55) HPGDNPC1RAB9A
SCHEMBL26690789 0.67 PIK3CD (0.41) HPGD
SCHEMBL17619510 0.67 SMN1; SMN2 (0.43) CNR1CNR2HPGDDPP4DPP8
SCHEMBL29152983 0.66 KMT2A (0.47) CNR1CNR2HPGDKCNJ6KCNJ3

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed