SCHEMBL19112871

SCHEMBL19112871

CCCC(CCC)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
ALDH1A1 P00352 1/20 0.69
TAS1R3 Q7RTX0 2/20 0.68
TAS1R1 Q7RTX1 2/20 0.68
CCR2 P41597 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TP53BP1 Q12888 1/20 0.55
DDR1 Q08345 3/20 0.54
GPR139 Q6DWJ6 1/20 0.53
TP53 P04637 1/20 0.52
P2RX1 P51575 1/20 0.50

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
SCHEMBL19112772 0.86 TACR1 (0.58) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL18086864 0.84 POLB (0.64) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL6360091 0.82 POLB (1.00) POLBALDH1A1TAS1R3TAS1R1NPSR1
SCHEMBL30739602 0.82 POLB (0.78) POLBALDH1A1TAS1R3TAS1R1NPSR1
SCHEMBL2855037 0.82 POLB (0.78) POLBALDH1A1TAS1R3TAS1R1NPSR1
SCHEMBL19113310 0.82 TACR1 (0.50) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL19113183 0.82 NOTUM (0.52) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL7674146 0.81 POLB (0.64) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL7674144 0.81 POLB (0.64) POLBALDH1A1TAS1R3TAS1R1CCR2
SCHEMBL703500 0.81 TAS1R3 (1.00) POLBALDH1A1TAS1R3TAS1R1CCR2

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
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed