SCHEMBL7279780

SCHEMBL7279780

COc1ccc2c(c1)CCC2C(=O)NC1CN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ACHE P22303 1/20 0.43
HTR3A P46098 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL27989609 0.77 SRD5A1 (0.50) CHRNA7ACHE
SCHEMBL19469507 0.74 MTNR1A (0.50) ACHE
SCHEMBL8943980 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL8944242 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL6846711 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL30311886 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL29013256 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL2996277 0.74 CHRM3 (0.57) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL9597658 0.74 CHRNA7 (0.58) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL19002290 0.73 MTNR1A (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430190-B1 New tricyclic compounds SYNTEX INC (US) 1995-07-05 EP disclosed
EP-0430190-A2 New tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-06-05 EP disclosed