SCHEMBL23168348

SCHEMBL23168348

CC1(O)CCN(c2ccc(N3CCCCC3=O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.45
USP2 O75604 1/20 0.43
AKR1C3 P42330 5/20 0.42
GFER P55789 1/20 0.40
ACACB O00763 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL23168406 0.93 ALDH1A1 (0.46) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL23168397 0.86 ALDH1A1 (0.49) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL23168383 0.82 ALDH1A1 (0.47) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL23168370 0.81 ALDH1A1 (0.46) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL23168559 0.80 ALDH1A1 (0.45) ALDH1A1HPGDUSP2AKR1C3BRD9
SCHEMBL23168346 0.80 ALDH1A1 (0.45) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL23168350 0.76 FPR1 (0.44) ALDH1A1HPGDUSP2AKR1C3GFER
SCHEMBL13725423 0.76 MAPT (0.47) ALDH1A1USP2GFERL3MBTL1MAPT
SCHEMBL15651323 0.76 MAPT (0.47) ALDH1A1USP2GFERL3MBTL1MAPT
SCHEMBL15651489 0.76 MAPT (0.47) ALDH1A1USP2GFERL3MBTL1MAPT

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-3634955-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-03-31 EP disclosed