SCHEMBL8043619

SCHEMBL8043619

O=c1c2ccccc2sn1CCCCBr

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.70
MGLL Q99685 1/20 0.70
KAT2A Q92830 1/20 0.64
KAT2B Q92831 1/20 0.64
CASP3 P42574 5/20 0.60

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
SCHEMBL24836231 0.92 FAAH (0.81) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL24836228 0.90 FAAH (0.84) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL8070856 0.88 CASP3 (0.66) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL24836229 0.88 FAAH (0.76) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL11278746 0.84 CASP3 (0.74) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL3147758 0.84 FAAH (0.97) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL17372961 0.84 FAAH (0.70) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL9594067 0.84 FAAH (0.70) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL24327898 0.83 FAAH (1.00) FAAHMGLLKAT2AKAT2BCASP3
SCHEMBL8621525 0.83 FAAH (1.00) FAAHMGLLKAT2AKAT2BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
US-5510374-A USEFUL IN TREATMENT OF DISORDERS OF THE SEROTINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-04-23 US disclosed
US-5346916-A FOR TREATING ANIMALS SUFFERING FROM DISORDERS OF THE SEROTONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1994-09-13 US disclosed
US-5314907-A 3-aminochroan compounds ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
US-5273994-A Also hydroxy- or alkyl ether-substituted ADIR ET COMPAGNIE (FR) 1993-12-28 US disclosed
US-5252578-A Treatment of disorders of teh serotoninergic system ADIR ET COMPAGNIE (FR) 1993-10-12 US disclosed
EP-0452204-A1 3-Aminochromane derivatives, procedure for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-10-16 EP disclosed