SCHEMBL7401967

SCHEMBL7401967

OC1(c2ccsc2)CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 1.00
KMT2A Q03164 1/20 0.56
CHRM2 P08172 5/20 0.55
CHRM4 P08173 5/20 0.55
CHRM5 P08912 5/20 0.55
CHRM3 P20309 5/20 0.55

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
SCHEMBL7758627 0.84 CHRM1 (0.72) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL9430968 0.73 CHRM1 (0.68) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL9492300 0.73 KMT2A (0.69) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL7755543 0.73 KMT2A (0.69) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL8775364 0.72 KMT2A (0.61) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL9458699 0.71 CHRM1 (0.69) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL8777872 0.71 KMT2A (0.65) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL7398071 0.71 KMT2A (0.56) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL5065834 0.71 KMT2A (0.65) CHRM1KMT2ACHRM2CHRM4CHRM5
SCHEMBL7396790 0.71 CHRM1 (1.00) CHRM1KMT2ACHRM2CHRM4CHRM5

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
US-5599937-A Heteroaromatic quinuclidinenes, their use and preparation PHARMACIA AB (SE) 1997-02-04 US disclosed
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 EP disclosed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 WO disclosed