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SCHEMBL13808403

SCHEMBL13808403

O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3ccnc(N4CCOCC4)c3)co2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 5/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ ABL1 P00519 9/20 0.41
▸ BCR P11274 2/20 0.38
▸ SMG1 Q96Q15 3/20 0.37
▸ MTOR P42345 2/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL12720064 0.88 F2R (0.51) F2RCNR1TMEM97ABL1BCR
SCHEMBL641746 0.87 F2R (0.54) F2RCNR1TMEM97ABL1BCR
SCHEMBL12720271 0.86 F2R (0.51) F2RCNR1TMEM97SCN9A
SCHEMBL12720001 0.85 F2R (0.49) F2RCNR1TMEM97ABL1BCR
SCHEMBL13808345 0.85 F2R (0.43) F2RCNR1TMEM97ABL1BCR
SCHEMBL12720565 0.82 F2R (0.50) F2RCNR1TMEM97
SCHEMBL12720003 0.81 F2R (0.51) F2RCNR1TMEM97ABL1BCR
SCHEMBL12720072 0.81 F2R (0.49) F2RCNR1TMEM97ABL1BCR
SCHEMBL12720124 0.81 F2R (0.55) F2RCNR1TMEM97ABL1BCR
SCHEMBL12719955 0.81 F2R (0.50) F2RCNR1TMEM97ABL1BCR

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-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 — — WO disclosed