SCHEMBL16735593

SCHEMBL16735593

O=C(c1cc2ncccc2cc1O)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.56
▸ POLB P06746 1/20 0.49
▸ RBP4 P02753 1/20 0.43
▸ SPR P35270 12/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40

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
SCHEMBL16735647 0.88 POLB (0.49) RXFP1POLBSPRHTR2AHTR2C
SCHEMBL16735667 0.86 POLB (0.51) RXFP1POLBHPGD
SCHEMBL16735578 0.84 POLB (0.56) RXFP1POLBHPGD
SCHEMBL16735605 0.83 POLB (0.51) RXFP1POLBSPR
SCHEMBL16735658 0.81 POLB (0.53) POLB
SCHEMBL16735619 0.80 POLB (0.52) RXFP1POLBHPGD
SCHEMBL2143807 0.79 ALDH1A1 (0.51) RXFP1HTR2AHTR2C
SCHEMBL16735634 0.79 KDM4C (0.54) RXFP1POLBSPR
SCHEMBL16735663 0.79 RXFP1 (0.45) RXFP1POLBHCRTR1HCRTR2
SCHEMBL16735639 0.79 RXFP1 (0.46) RXFP1POLBHCRTR1HCRTR2

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-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 — — EP claimed
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