SCHEMBL16735639

SCHEMBL16735639

O=C(c1cc2ncccc2cc1O)N1CC2CCCCC2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HCRTR1 O43613 7/20 0.43
▸ HCRTR2 O43614 7/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ CHRNA7 P36544 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL16735578 0.83 POLB (0.56) RXFP1POLBDPP4DPP8HSP90AA1
SCHEMBL16735624 0.82 CNR1 (0.43) RXFP1POLBHSP90AA1HTR3A
SCHEMBL16735670 0.81 MAPT (0.55) RXFP1POLBLMNA
SCHEMBL16735634 0.81 KDM4C (0.54) RXFP1POLB
SCHEMBL16735667 0.81 POLB (0.51) RXFP1POLB
SCHEMBL16735647 0.79 POLB (0.49) RXFP1POLBHSP90AA1LMNA
SCHEMBL16735593 0.79 RXFP1 (0.56) RXFP1POLBHCRTR1HCRTR2
SCHEMBL16735636 0.79 HSP90AA1 (0.62) POLBHSP90AA1
SCHEMBL16735663 0.78 RXFP1 (0.45) RXFP1POLBHCRTR1HCRTR2LMNA
SCHEMBL16735605 0.78 POLB (0.51) RXFP1POLB

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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