SCHEMBL2279512

SCHEMBL2279512

CC1(C(=O)O)CCC(N2Cc3ccc(-c4ccc(Nc5ccc(C(F)(F)F)cc5)cc4)cc3C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
DGAT1 O75907 2/20 0.38
PIM1 P11309 1/20 0.37
SCN1A P35498 3/20 0.36
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
OPRD1 P41143 1/20 0.35
TDP2 O95551 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
BTK Q06187 2/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 1/20 0.35
KIF11 P52732 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL2196468 0.85 MCHR1 (0.39) MCHR1DGAT1SCN1ASCN5ASCN9A
SCHEMBL2196467 0.85 MCHR1 (0.39) MCHR1DGAT1SCN1ASCN5ASCN9A
SCHEMBL2280669 0.84 DGAT1 (0.37) MCHR1DGAT1OPRD1TDP2TRPV1
SCHEMBL2279505 0.83 SCN1A (0.39) MCHR1SCN1ASCN5ASCN9ABRD4
SCHEMBL13719274 0.81 CRBN (0.42) HTR2AHTR2CHTR2BTDP2
SCHEMBL2197280 0.80 DGAT1 (0.41) MCHR1DGAT1SCN1ASCN5ASCN9A
SCHEMBL2198200 0.78 MCHR1 (0.36) MCHR1SCN1ASCN5ASCN9ABRD4
SCHEMBL2198162 0.78 TDP2 (0.42) DGAT1TDP2BRD4CREBBPAPOB
SCHEMBL2280666 0.77 DGAT1 (0.39) MCHR1DGAT1OPRD1TDP2BRD4
SCHEMBL2179791 0.76 JAK2 (0.44) MCHR1DGAT1TRPV1

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-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed