SCHEMBL24045796

SCHEMBL24045796

CSc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.41
BRD4 O60885 1/20 0.41
BRDT Q58F21 1/20 0.41
BACE1 P56817 1/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
AKR1C3 P42330 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL23602041 0.82 F10 (0.52) F10NPC1RAB9AALDH1A1BRD4
SCHEMBL14320491 0.81 F10 (0.50) F10NPC1RAB9AALDH1A1BRD4
SCHEMBL24045715 0.79 F10 (0.47) F10ALDH1A1BRD4BRDTHPGD
SCHEMBL24045875 0.78 F10 (0.49) F10NPC1RAB9AHPGDGAA
SCHEMBL23601598 0.78 ALDH1A1 (0.49) F10NPC1RAB9AALDH1A1BRD4
SCHEMBL4468734 0.77 ALDH1A1 (0.57) NPC1RAB9AALDH1A1HPGDAKR1C3
SCHEMBL24045876 0.75 BACE1 (0.40) F10RAB9AALDH1A1BACE1GAA
SCHEMBL26779861 0.75 ALDH1A1 (0.64) NPC1RAB9AALDH1A1BRD4BRDT
SCHEMBL24720996 0.75 CYP1A2 (0.50) F10NPC1RAB9AALDH1A1BRD4
SCHEMBL11818354 0.74 ALOX5 (0.51) RAB9AALDH1A1BRD4BRDTHPGD

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
EP-3414227-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed