SCHEMBL13626569

SCHEMBL13626569

CN1CCCN(c2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)Nc3ccc(Cl)s3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
F10 P00742 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NAMPT P43490 3/20 0.40
CFTR P13569 5/20 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
SCHEMBL13626504 0.88 NAMPT (0.51) LMNAPKMF10NPC1RAB9A
SCHEMBL13626549 0.88 NAMPT (0.51) LMNAPKMF10NPC1RAB9A
SCHEMBL13626550 0.88 NAMPT (0.51) LMNAPKMF10NPC1RAB9A
SCHEMBL13626567 0.81 F10 (0.52) LMNAPKMF10POLBCYP3A4
SCHEMBL13626555 0.79 F10 (0.49) LMNAF10RAB9AKDM4ENAMPT
SCHEMBL13626551 0.78 F10 (0.55) F10NAMPTCFTR
SCHEMBL13626540 0.78 F10 (0.47) LMNAF10NPC1RAB9AKDM4E
SCHEMBL13664671 0.76 F10 (0.54) LMNAPKMF10POLBCYP3A4
SCHEMBL13626564 0.76 F10 (0.54) LMNAPKMF10POLBCYP3A4
SCHEMBL13626545 0.74 F10 (0.49) LMNAF10NPC1RAB9AKDM4E

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
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed