SCHEMBL173260

SCHEMBL173260

O=C(O)C1CCC(c2ncc(-c3ccc(Nc4ccccc4Cl)cc3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.52
LMNA P02545 6/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 3/20 0.51
CYP2C9 P11712 1/20 0.51
HDAC4 P56524 1/20 0.51
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DGAT1 O75907 1/20 0.44
NR2F2 P24468 1/20 0.43
ACVRL1 P37023 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL174380 0.89 TP53 (0.52) TP53LMNAMAPTPOLBNPC1
SCHEMBL161754 0.89 DGAT1 (0.57) TP53LMNAMAPTPOLBNPC1
SCHEMBL162087 0.84 SMO (0.64) TP53LMNANPC1CYP2C9HDAC4
SCHEMBL437870 0.83 CYP2C9 (0.58) TP53LMNAMAPTPOLBNPC1
SCHEMBL406907 0.83 CYP2C9 (0.58) TP53LMNAMAPTPOLBNPC1
SCHEMBL162433 0.83 NPC1 (0.57) TP53LMNAMAPTNPC1CYP2C9
SCHEMBL174631 0.80 KMT2A (0.50) TP53LMNAMAPTNPC1CYP2C9
SCHEMBL162572 0.79 LMNA (0.49) TP53LMNAMAPTPOLBNPC1
SCHEMBL161648 0.78 KMT2A (0.49) TP53LMNAMAPTPOLBNPC1
SCHEMBL165013 0.78 DGAT1 (0.59) TP53LMNAMAPTNPC1CYP2C9

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed