SCHEMBL9213176

SCHEMBL9213176

COCC1OCN(c2ccc3cc(OCCC#N)ccc3c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 4/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ P2RY12 Q9H244 2/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ KDM2B Q8NHM5 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL9210057 0.85 CA12 (0.39) KMT2ATP53
SCHEMBL9206290 0.84 HRH3 (0.33) KMT2ASLC6A2SLC6A4SLC6A3MAOB
SCHEMBL9208097 0.84 MCHR1 (0.40) —
SCHEMBL8566875 0.83 BACE1 (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9205120 0.83 BACE1 (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9213510 0.83 MIF (0.31) MAOBTP53
SCHEMBL9208921 0.82 HTR1A (0.42) KMT2AGRM2SLC6A2SLC6A4SLC6A3
SCHEMBL9204689 0.80 ALOX5 (0.44) KMT2AMAOBMAOAKCNH2
SCHEMBL9215789 0.80 ALOX5 (0.44) KMT2AMAOBMAOAKCNH2
SCHEMBL9209400 0.80 ALOX5 (0.44) KMT2AMAOBMAOAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425209-B1 Naphthyloxazolidone derivatives TANABE SEIYAKU CO (JP) 1995-05-10 — — EP disclosed
US-5332754-A Antidepressant TANABE SEIYAKU CO., LTD. (JP) 1994-07-26 — — US disclosed
US-5182296-A Antidepressants TANABE SEIYAKY CO., LTD. (JP) 1993-01-26 — — US disclosed
EP-0425209-A2 Naphthyloxazolidone derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-05-02 — — EP disclosed
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