SCHEMBL11115518

SCHEMBL11115518

CCC(C)(C)c1ccc2c(c1)C(NC1CN3CCC1CC3)c1ccccc1CO2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
GAA P10253 1/20 0.34
CHRNA7 P36544 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL11116121 0.90 CHRM3 (0.38) CHRM2CHRM1CHRM3CHRNA7NSD2
SCHEMBL11113541 0.84 CHRM2 (0.38) CHRM2CHRM1CHRM3GAACHRNA7
SCHEMBL11109479 0.83 CHRNA7 (0.41) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL11111944 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3GAACHRNA7
SCHEMBL11117209 0.81 HTR3A (0.41) CHRM2CHRM1CHRM3GAACHRNA7
SCHEMBL11128579 0.81 CHRM3 (0.42) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL11113361 0.80 CHRNA7 (0.44) CHRM2CHRM1CHRM3GAACHRNA7
SCHEMBL11115203 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL10909027 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3TBXA2R
SCHEMBL11115200 0.77 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 3 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 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