SCHEMBL13626550

SCHEMBL13626550

CN1CCCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)Nc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
CFTR P13569 5/20 0.49
F10 P00742 3/20 0.49
HTR1A P08908 2/20 0.47
HTR7 P34969 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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 1.00 NAMPT (0.51) NAMPTCFTRF10HTR1AHTR7
SCHEMBL13626504 1.00 NAMPT (0.51) NAMPTCFTRF10HTR1AHTR7
SCHEMBL13626555 0.90 F10 (0.49) NAMPTCFTRF10HTR1ALMNA
SCHEMBL13626551 0.89 F10 (0.55) NAMPTCFTRF10
SCHEMBL13626569 0.88 LMNA (0.43) NAMPTCFTRF10LMNAPKM
SCHEMBL13626564 0.87 F10 (0.54) CFTRF10LMNAPKMMEN1
SCHEMBL13626540 0.87 F10 (0.47) NAMPTF10HTR1ALMNANPC1
SCHEMBL13664671 0.87 F10 (0.54) CFTRF10LMNAPKMMEN1
SCHEMBL13626545 0.85 F10 (0.49) NAMPTF10HTR1ALMNANPC1
SCHEMBL13626560 0.85 F10 (0.52) CFTRF10LMNAPKMMEN1

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