SCHEMBL24045765

SCHEMBL24045765

O=C1CCCCN1c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.48
ALDH1A1 P00352 2/20 0.45
DGAT1 O75907 1/20 0.45
PDK2 Q15119 1/20 0.44
AKR1C3 P42330 1/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
DHODH Q02127 1/20 0.42
GFER P55789 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL30930946 0.79 HPGD (0.43) ALDH1A1PDK2HPGDF10PRSS1
SCHEMBL18955154 0.78 PIP4K2A (0.51) ALDH1A1AKR1C3HPGDF10PRSS1
SCHEMBL3666589 0.77 LMNA (0.59) ALDH1A1AKR1C3HPGDF10USP2
SCHEMBL76559 0.77 ALDH1A1 (0.59) ALDH1A1AKR1C3HPGDGFERLMNA
SCHEMBL27409503 0.77 ALDH1A1 (0.59) ALDH1A1AKR1C3HPGDGFERLMNA
SCHEMBL2728631 0.76 LMNA (0.58) ALDH1A1AKR1C3HPGDF10USP2
SCHEMBL26779861 0.76 ALDH1A1 (0.64) ALDH1A1AKR1C3HPGDGFERLMNA
SCHEMBL1626841 0.76 ALDH1A1 (0.58) ALDH1A1AKR1C3HPGDGFERLMNA
SCHEMBL329316 0.76 ALDH1A1 (0.58) ALDH1A1AKR1C3HPGDGFERLMNA
Hydrochloric Acid SCHEMBL7459714 0.76 ALDH1A1 (0.58) ALDH1A1AKR1C3HPGDGFERLMNA

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