SCHEMBL9602529

SCHEMBL9602529

CCOP(=O)(CCCc1ccncc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
PPARD Q03181 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2955651 0.90 PPARD (0.42) PPARDLMNAHTTSMN1; SMN2TSHR
SCHEMBL8658558 0.83 CETP (0.45) TSHR
SCHEMBL11795292 0.80 MAOB (0.43) PPARD
SCHEMBL1833138 0.80 FDPS (0.43) PPARD
SCHEMBL1835123 0.80 TAAR1 (0.42) PPARD
Bromide SCHEMBL4023098 0.79 PPARD (0.34) PPARDLMNAHTTSMN1; SMN2
SCHEMBL3658477 0.79 NPY5R (0.42) PPARDLMNATSHR
SCHEMBL7331812 0.78 CETP (0.47) TSHR
SCHEMBL14890455 0.77 CETP (0.50) TSHR
SCHEMBL3486531 0.76 RARB (0.54) SMN1; SMN2

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
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed