SCHEMBL4198540

SCHEMBL4198540

O=C(C(=O)N(CCCO)C(C(=O)NC1CCCCC1)C1CCCCC1)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ACKR3 P25106 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL3942077 0.93 RAB9A (0.55) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3942150 0.92 RAB9A (0.54) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3941064 0.91 RAB9A (0.57) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4199623 0.90 RAB9A (0.52) RAB9ANPC1ACKR3TSHRKMT2A
SCHEMBL3943978 0.88 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3944015 0.88 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3941454 0.88 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3942490 0.88 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4197663 0.88 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4033163 0.87 RAB9A (0.57) RAB9ANPC1HDAC1HDAC6ACKR3

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