SCHEMBL161827

SCHEMBL161827

CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.47
KCNJ6 P48051 3/20 0.42
KCNJ5 P48544 3/20 0.42
KCNJ3 P48549 3/20 0.42
KDR P35968 2/20 0.41
EPHB4 P54760 2/20 0.41
TEK Q02763 2/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
MTOR P42345 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL163070 0.89 DGAT1 (0.59) DGAT1KCNJ6KCNJ5KCNJ3KDR
SCHEMBL162577 0.89 DGAT1 (0.56) DGAT1KDRTEKKITCNR1
SCHEMBL163741 0.88 DGAT1 (0.48) DGAT1KCNJ6KCNJ5KCNJ3KDR
SCHEMBL158327 0.88 DGAT1 (0.47) DGAT1KDREPHB4TEKEGFR
SCHEMBL163071 0.86 DGAT1 (0.44) DGAT1KCNJ6KCNJ5KCNJ3KDR
SCHEMBL173959 0.80 DGAT1 (0.60) DGAT1NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL165743 0.79 DGAT1 (0.73) DGAT1KDRCNR1
SCHEMBL162997 0.79 DGAT1 (0.55) DGAT1KDR
SCHEMBL160661 0.79 DGAT1 (0.59) DGAT1KDRPDGFRB
SCHEMBL161764 0.79 DGAT1 (0.55) DGAT1KDRTEKPDGFRBKIT

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 claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed