SCHEMBL9796511

SCHEMBL9796511

COc1ccc(C(CCN2CCCCC2)NC(=O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ UTS2R Q9UKP6 6/20 0.51
▸ ROCK2 O75116 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DRD3 P35462 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCR5 P51681 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
Oxalic Acid SCHEMBL9796544 0.97 UTS2R (0.54) SLC6A2SLC6A4UTS2RROCK2ROCK1
SCHEMBL9796206 0.89 UTS2R (0.53) SLC6A4UTS2RROCK2ROCK1DRD3
SCHEMBL9796588 0.89 UTS2R (0.57) SLC6A2SLC6A4UTS2RROCK2ROCK1
SCHEMBL9796574 0.89 UTS2R (0.57) SLC6A2SLC6A4UTS2RROCK2ROCK1
SCHEMBL9796534 0.88 ROCK2 (0.58) SLC6A2SLC6A4UTS2RROCK2ROCK1
Oxalic Acid SCHEMBL10675334 0.87 UTS2R (0.56) SLC6A2SLC6A4UTS2RROCK2ROCK1
Oxalic Acid SCHEMBL10672534 0.86 UTS2R (0.57) SLC6A2SLC6A4UTS2RROCK2ROCK1
SCHEMBL9796390 0.86 CCR5 (0.48) SLC6A2SLC6A4UTS2RROCK2ROCK1
SCHEMBL9796615 0.85 UTS2R (0.45) SLC6A2SLC6A4UTS2RROCK2ROCK1
Fumaric Acid SCHEMBL10679564 0.85 UTS2R (0.53) SLC6A2SLC6A4UTS2RROCK2ROCK1

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 6 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
EP-0256181-B1 NOVEL QUINALDINAMIDE DERIVATIVES AND THEIR PREPARATIONS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-01-23 — — EP 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
Send feedback