SCHEMBL4200459

SCHEMBL4200459

CC(C)NC(=O)[C@@H](C1CCCCC1)N(CCN1CCNCC1)C(=O)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
DRD2 P14416 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
ALOX5 P09917 1/20 0.39
GABRA1 P14867 5/20 0.39
GABRG2 P18507 5/20 0.39

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
SCHEMBL3943143 0.91 RAB9A (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3943966 0.90 RAB9A (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4345582 0.88 HTR4 (0.45) NPC1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4211749 0.86 ACKR3 (0.44) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4212851 0.83 RAB9A (0.49) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4029272 0.82 RAB9A (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4199623 0.80 RAB9A (0.52) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4353016 0.80 HTR4 (0.45) NPC1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4360682 0.78 ALDH1A1 (0.46) NPC1HTR2AKMT2AMEN1SMN1; SMN2
SCHEMBL4347795 0.77 HTR4 (0.41) NPC1KMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed