SCHEMBL8626924

SCHEMBL8626924

O=[C]C(NC(=O)N1CCN(c2ccc(Cl)cc2Cl)C(=O)C1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 3/20 0.39
▸ CACNA1B Q00975 3/20 0.39
▸ CACNB1 Q02641 3/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ P2RX7 Q99572 4/20 0.38
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.34
▸ GRM5 P41594 2/20 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
SCHEMBL8622094 0.81 MEN1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CP2RX7
SCHEMBL10545517 0.73 ALDH1A1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL8626971 0.72 POLB (0.38) ALDH1A1CNR1CNR2MEN1KMT2A
SCHEMBL8625044 0.72 GPBAR1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL10546806 0.71 HTT (0.43) CACNA2D1CACNA1BCACNB1CACNA1COPRK1
SCHEMBL8077395 0.71 KMT2A (0.38) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL8082394 0.71 CHRM1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL8623693 0.71 ALDH1A1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL10540280 0.70 POLB (0.39) CACNA2D1CACNA1BCACNB1ALDH1A1CNR1
SCHEMBL10543810 0.70 CNR1 (0.37) ALDH1A1CNR1CNR2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503597-B1 Penam derivatives and processes for producing the same OTSUKA KAGAKU KK (JP) 1998-06-10 — — EP disclosed
US-5599925-A BACTERICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-02-04 — — US disclosed
US-5300497-A Broad spectrum antibiotics and bactericides; stable to beta-lactamase; effective against antibiotic-resistant bacteria TOYAMA CHEMICAL CO., LTD. (JP) 1994-04-05 — — US disclosed
US-5185330-A Penicillins/ad/ TOYAMA CHEMICAL CO., LTD. (JP) 1993-02-09 — — US disclosed
EP-0503597-A2 Penam derivatives and processes for producing the same OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 — — EP disclosed
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