SCHEMBL31490318

SCHEMBL31490318

Cc1c(-c2ccccc2)cc(C(=O)NCc2cc(F)cc3c2OCOC3)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ELANE P08246 9/20 0.45
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR1 P32246 3/20 0.38
NOTUM Q6P988 1/20 0.37
CXCR5 P32302 1/20 0.37
MAPK8 P45983 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL560933 1.00 NPC1 (0.47) NPC1RAB9APOLBNPSR1GALR3
SCHEMBL4027384 0.87 GALR3 (0.46) NPC1RAB9APOLBNPSR1GALR3
SCHEMBL5758834 0.87 ELANE (0.55) NPC1RAB9APOLBNPSR1GALR3
SCHEMBL5434834 0.85 GALR3 (0.46) NPC1RAB9APOLBNPSR1GALR3
SCHEMBL31490157 0.82 ELANE (0.49) ELANECCR1NOTUM
SCHEMBL561776 0.82 ELANE (0.49) ELANECCR1NOTUM
SCHEMBL561541 0.80 ELANE (0.47) ELANECCR1
SCHEMBL31490320 0.80 ELANE (0.47) ELANECCR1
SCHEMBL561729 0.79 CHRNB2 (0.55) ELANECCR1NOTUM
SCHEMBL31490135 0.79 PPARG (0.51) POLBKDM4EELANEALDH1A1TDP1

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-2025056602-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF IN TREATMENT OF CONDITIONS AND DISEASES RELATED TO ELASTIN DEFICIENCY AND/OR AGING Elastin Biosciences Ltd. (GB) 2025-03-20 WO disclosed