SCHEMBL8970872

SCHEMBL8970872

CC(C)COP(C)(=O)CCC#N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL11526835 0.82 TSHR (0.31) TSHR
SCHEMBL7790759 0.78 TSHR (0.41) TSHR
SCHEMBL8150189 0.75 TRPM8 (0.34)
SCHEMBL29046003 0.75 CYP3A4 (0.31)
SCHEMBL10607363 0.75
SCHEMBL10613882 0.74 ALDH1A1 (0.31)
SCHEMBL11593856 0.74 PPARD (0.40)
SCHEMBL8970852 0.72 ALDH1A1 (0.35)
SCHEMBL13541606 0.72 ALDH1A1 (0.35)
SCHEMBL7785022 0.72 CYP3A4 (0.47) TSHR

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
US-5567840-A AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
US-5461040-A Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain CIBA-GEIGY CORPORATION (US) 1995-10-24 US disclosed
EP-0399949-B1 Substituted aminoalkylphosphinic acids CIBA GEIGY AG (CH) 1995-04-12 EP disclosed
US-5281747-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
EP-0399949-A1 Substituted aminoalkylphosphinic acids CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed