SCHEMBL3945143

SCHEMBL3945143

O=C(O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CFTR P13569 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ACKR3 P25106 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4211391 0.94 RAB9A (0.46) RAB9ANPC1MEN1KMT2AHRH3
SCHEMBL4206617 0.92 RAB9A (0.43) RAB9ANPC1MEN1KMT2ACFTR
SCHEMBL4199502 0.92 RAB9A (0.43) RAB9ANPC1MEN1KMT2ACFTR
SCHEMBL4208314 0.92 RAB9A (0.50) RAB9ANPC1MEN1KMT2AGABRA1
SCHEMBL3943978 0.90 RAB9A (0.58) RAB9ANPC1MEN1KMT2AACKR3
SCHEMBL3944015 0.90 RAB9A (0.58) RAB9ANPC1MEN1KMT2AACKR3
SCHEMBL4197663 0.90 RAB9A (0.58) RAB9ANPC1MEN1KMT2AACKR3
SCHEMBL3942490 0.90 RAB9A (0.58) RAB9ANPC1MEN1KMT2AACKR3
SCHEMBL3941454 0.90 RAB9A (0.58) RAB9ANPC1MEN1KMT2AACKR3
SCHEMBL3944227 0.90 DGAT1 (0.40) RAB9ANPC1MEN1KMT2AACKR3

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