SCHEMBL8120519

SCHEMBL8120519

Cc1cc([C@H]2CCCN2)sn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8117123 1.00 CHRM2 (0.40) CHRM2CHRM5CHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL9259177 0.98 CHRM2 (0.39) CHRM2CHRM5CHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL8104746 0.98 CHRM2 (0.39) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL20320567 0.74 PSMB5 (0.31)
SCHEMBL20320570 0.74 CHRM4 (0.31) CHRM1CHRM4
SCHEMBL20320565 0.73
SCHEMBL19626640 0.72 ALDH1A1 (0.33) CHRM1CHRM4
SCHEMBL168722 0.71 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL22619946 0.69 CHRM2 (0.43) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL28580212 0.69 CHRM2 (0.43) CHRM2CHRM5CHRM1CHRM3CHRM4

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-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 EP disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed
EP-0588917-A4 1994-04-13 EP disclosed
EP-0588917-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
WO-1992021339-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1992-12-10 WO disclosed