SCHEMBL16735587

SCHEMBL16735587

O=C(c1cc2ncccc2cc1O)N1CCC[C@H]2C[C@@H](O)CCC21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HSP90AA1 P07900 3/20 0.35
▸ HSP90AB1 P08238 3/20 0.35
▸ SYK P43405 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16735624 0.90 CNR1 (0.43) RXFP1CNR1CNR2POLBHSP90AA1
SCHEMBL16735620 0.80 KCNH2 (0.45) RXFP1POLBHSP90AA1HSP90AB1LMNA
SCHEMBL16735639 0.75 RXFP1 (0.46) RXFP1POLBHSP90AA1LMNACHRNA7
SCHEMBL16735662 0.74 HSP90AA1 (0.57) HSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL16735578 0.73 POLB (0.56) RXFP1POLBMAPTHSP90AA1LMNA
SCHEMBL4930657 0.72 POLB (0.44) RXFP1CNR1CNR2POLBCHRNA7
SCHEMBL4930664 0.72 POLB (0.44) RXFP1CNR1CNR2POLBCHRNA7
SCHEMBL16735670 0.72 MAPT (0.55) RXFP1POLBMAPTHTTLMNA
SCHEMBL16735647 0.71 POLB (0.49) RXFP1POLBMAPTHSP90AA1LMNA
SCHEMBL16735634 0.71 KDM4C (0.54) RXFP1POLBMAPT

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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