SCHEMBL13626545

SCHEMBL13626545

CN1CCCN(c2ccc(NC(=O)C3c4ccccc4CN3C(=O)Nc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
NAMPT P43490 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ABCB1 P08183 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL13626549 0.85 NAMPT (0.51) F10NAMPTRAB9ANPC1LMNA
SCHEMBL13626504 0.85 NAMPT (0.51) F10NAMPTRAB9ANPC1LMNA
SCHEMBL13626550 0.85 NAMPT (0.51) F10NAMPTRAB9ANPC1LMNA
SCHEMBL14507138 0.81 F10 (0.54) F10NAMPTRAB9ANPC1LMNA
SCHEMBL4605212 0.79 F10 (0.54) F10TAS1R3TAS1R1TAS1R2
SCHEMBL4606642 0.79 F10 (0.54) F10TAS1R3TAS1R1TAS1R2
SCHEMBL13626540 0.78 F10 (0.47) F10NAMPTRAB9ANPC1ABCB1
SCHEMBL13626555 0.78 F10 (0.49) F10NAMPTRAB9AKDM4ELMNA
SCHEMBL13626542 0.77 F10 (0.43) F10NAMPTMEN1KMT2AGAA
SCHEMBL5544306 0.77 TRPV1 (0.62) NAMPTKDM4ELMNASMN1; SMN2MEN1

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