SCHEMBL9796574

SCHEMBL9796574

O=C(NC(CCN1CCCCC1)c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 4/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ ROCK1 Q13464 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CCR5 P51681 4/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL9796588 1.00 UTS2R (0.57) UTS2RROCK2ROCK1SMN1; SMN2CCR5
SCHEMBL9796534 0.99 ROCK2 (0.58) UTS2RROCK2ROCK1SMN1; SMN2CCR5
Oxalic Acid SCHEMBL10672534 0.97 UTS2R (0.57) UTS2RROCK2ROCK1SMN1; SMN2CCR5
Fumaric Acid SCHEMBL10679559 0.95 UTS2R (0.53) UTS2RROCK2ROCK1SMN1; SMN2CCR5
Fumaric Acid SCHEMBL10679564 0.95 UTS2R (0.53) UTS2RROCK2ROCK1SMN1; SMN2CCR5
SCHEMBL9796206 0.92 UTS2R (0.53) UTS2RROCK2ROCK1SMN1; SMN2CCR5
Oxalic Acid SCHEMBL10675334 0.91 UTS2R (0.56) UTS2RROCK2ROCK1SMN1; SMN2CCR5
SCHEMBL9796511 0.89 SLC6A2 (0.54) UTS2RROCK2ROCK1SMN1; SMN2CCR5
SCHEMBL9796406 0.89 HTR1A (0.51) UTS2RROCK2ROCK1SMN1; SMN2CCR5
Oxalic Acid SCHEMBL9796544 0.89 UTS2R (0.54) UTS2RROCK2ROCK1CCR5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256181-B1 NOVEL QUINALDINAMIDE DERIVATIVES AND THEIR PREPARATIONS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-01-23 — — EP claimed
US-4764617-A MUSCLE RELAXANTS NIPPON CHEMIPHAR CO., LTD. (JP) 1988-08-16 — — US claimed
EP-0256181-A1 Novel quinaldinamide derivatives and their preparations NIPPON CHEMIPHAR CO., LTD. (JP) 1988-02-24 — — EP claimed
JP-2101063-A — — None — — JP disclosed
EP-0256181-B1 NOVEL QUINALDINAMIDE DERIVATIVES AND THEIR PREPARATIONS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-01-23 — — EP disclosed
JP-H02101063-A PRODUCTION OF OPTICALLY ACTIVE QUINALDIC ACID DERIVATIVE NIPPON CHEMIPHAR CO LTD 1990-04-12 — — JP disclosed
US-4764617-A MUSCLE RELAXANTS NIPPON CHEMIPHAR CO., LTD. (JP) 1988-08-16 — — US disclosed
EP-0256181-A1 Novel quinaldinamide derivatives and their preparations NIPPON CHEMIPHAR CO., LTD. (JP) 1988-02-24 — — EP disclosed
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