SCHEMBL4199502

SCHEMBL4199502

O=C(O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C(C(=O)Nc1cccc(F)c1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ACKR3 P25106 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CCR2 P41597 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PARP1 P09874 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL3945143 0.92 RAB9A (0.49) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL4211391 0.91 RAB9A (0.46) RAB9ANPC1TRPV1CCR2MEN1
SCHEMBL3944227 0.90 DGAT1 (0.40) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL4202348 0.88 MAPT (0.52) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL4208314 0.85 RAB9A (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4206617 0.84 RAB9A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4028416 0.84 RAB9A (0.43) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL3941454 0.84 RAB9A (0.58) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL3942490 0.84 RAB9A (0.58) RAB9ANPC1ACKR3MEN1KMT2A
SCHEMBL3944015 0.84 RAB9A (0.58) RAB9ANPC1ACKR3MEN1KMT2A

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