SCHEMBL3944227

SCHEMBL3944227

O=C(O)CN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@@H](C(=O)Nc1ccccc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACKR3 P25106 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
PYGL P06737 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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 0.91 RAB9A (0.46) RAB9ANPC1KMT2AMEN1HAT1
SCHEMBL4199502 0.90 RAB9A (0.43) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3945143 0.90 RAB9A (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3945345 0.89 ALDH1A1 (0.42) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL3943464 0.89 ALDH1A1 (0.44) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL3943864 0.88 ALDH1A1 (0.38) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL3940683 0.88 MAPT (0.50) DGAT1RAB9ANPC1KMT2AMEN1
SCHEMBL3941054 0.85 MAPT (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3941048 0.85 MAPT (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4206065 0.84 ALDH1A1 (0.51) RAB9ANPC1KMT2AMEN1ALDH1A1

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 claimed