SCHEMBL4472222

SCHEMBL4472222

Nc1c(-c2ccc(C3CC[CH]CC3)cc2)cnc2ncnn12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
DGAT1 O75907 5/20 0.52
GAA P10253 1/20 0.51
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
EGLN2 Q96KS0 4/20 0.34
ACVRL1 P37023 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL4476872 0.78 DGAT1 (0.46) ALDH1A1POLBDGAT1
SCHEMBL4558171 0.77 NPC1 (0.67) ALDH1A1POLBDGAT1NPC1RAB9A
SCHEMBL4474205 0.77 MBOAT4 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5593173 0.75 ALDH1A1 (0.72) ALDH1A1POLBDGAT1GAANPC1
SCHEMBL4472609 0.75 DGAT1 (0.52) ALDH1A1POLBDGAT1NPC1RAB9A
SCHEMBL4485345 0.75 NPC1 (0.62) ALDH1A1POLBDGAT1NPC1RAB9A
SCHEMBL4558482 0.75 DGAT1 (0.52) ALDH1A1POLBDGAT1NPC1RAB9A
SCHEMBL4476143 0.69 NPC1 (0.49) ALDH1A1DGAT1NPC1RAB9AMEN1
SCHEMBL14163226 0.65 DGAT1 (0.75) ALDH1A1POLBDGAT1NPC1RAB9A
SCHEMBL27979910 0.64 SLC18A3 (0.46) ALDH1A1POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed