SCHEMBL11113541

SCHEMBL11113541

CCc1ccc2c(c1)C(NC1CN3CCC1CC3)c1ccccc1CO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
UGCG Q16739 1/20 0.35
TBXAS1 P24557 1/20 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
SCHEMBL11109479 0.86 CHRNA7 (0.41) CHRM2CHRM1CHRM3CHRNA7KMT2A
SCHEMBL11111944 0.84 CHRM2 (0.36) CHRM2CHRM1CHRM3CHRNA7GAA
SCHEMBL11115518 0.84 CHRM2 (0.36) CHRM2CHRM1CHRM3CHRNA7GAA
SCHEMBL11117209 0.84 HTR3A (0.41) CHRM2CHRM1CHRM3CHRNA7GAA
SCHEMBL11128579 0.84 CHRM3 (0.42) CHRM2CHRM1CHRM3CHRNA7MEN1
SCHEMBL11113361 0.83 CHRNA7 (0.44) CHRM2CHRM1CHRM3CHRNA7GAA
SCHEMBL11116121 0.83 CHRM3 (0.38) CHRM2CHRM1CHRM3CHRNA7SIGMAR1
SCHEMBL11115203 0.83 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL10909027 0.83 CHRM2 (0.40) CHRM2CHRM1CHRM3SMN1; SMN2MEN1
SCHEMBL11115200 0.80 CHRNA7 (0.38) CHRM2CHRM1CHRM3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP claimed
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed