SCHEMBL8303717

SCHEMBL8303717

NCCC(=O)N(N)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.51
MC5R P33032 2/20 0.51
MC1R Q01726 2/20 0.51
MC3R P41968 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MTNR1A P48039 1/20 0.44
ACP3 P15309 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL15224110 0.83 CYP1A2 (0.56) MC4RMC5RMC1RMC3RCYP1A2
SCHEMBL15224271 0.77 MC4R (0.56) MC4RMC5RMC1RMC3RCYP1A2
SCHEMBL3954881 0.73 MC4R (0.42) MC4RMC5RMC1RMC3RCYP1A2
SCHEMBL15224270 0.72 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19TDP1MTNR1A
SCHEMBL2412472 0.71 CYP1A2 (0.56) MC4RMC5RMC1RMC3RCYP1A2
Urea SCHEMBL15059663 0.71 MTNR1A (0.63) CYP1A2TDP1MTNR1AACP3CA12
SCHEMBL28402183 0.71 CYP1A2 (0.51) MC4RMC5RMC1RMC3RCYP1A2
SCHEMBL6028567 0.71 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19TDP1MTNR1A
SCHEMBL9525458 0.71 CYP2D6 (0.56) CYP1A2CYP2D6CYP2C19TDP1MTNR1A
SCHEMBL7340131 0.71 TDP1 (0.58) CYP1A2CYP2C19TDP1MTNR1AACP3

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-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed