SCHEMBL9686795

SCHEMBL9686795

O=C(N1C2CCC1CN(Cc1ccccc1)C2)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR1 P21453 2/20 0.49
FUCA1 P04066 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HSD11B1 P28845 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
Hydrochloric Acid SCHEMBL9687011 0.99 OPRM1 (0.48) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL1979132 0.91 S1PR5 (0.49) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL5175290 0.84 S1PR5 (0.54) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL17512633 0.84 S1PR5 (0.54) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL742934 0.82 S1PR5 (0.51) OPRM1S1PR5S1PR1FUCA1ACHE
SCHEMBL18702050 0.80 KMT2A (0.47) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL928056 0.80 HSD11B1 (0.58) OPRM1S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL928276 0.78 ARG1 (0.45) OPRM1LMNAKMT2A
SCHEMBL23053901 0.78 KCNK3 (0.52) OPRM1S1PR5S1PR1KMT2AHSD11B1
SCHEMBL22569544 0.78 KCNK3 (0.52) OPRM1S1PR5S1PR1KMT2AHSD11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed