SCHEMBL8103731

SCHEMBL8103731

CC(C)C1C(C)CCCC1OCC(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7500349 0.85 CYP19A1 (0.30)
SCHEMBL11044791 0.83
SCHEMBL4771757 0.80 EPHX1 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL1536314 0.80 EPHX1 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL4362522 0.78 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8729477 0.78 MEN1 (0.32) P2RX4
SCHEMBL583416 0.75 ALDH1A1 (0.31)
SCHEMBL4362702 0.74 NPSR1 (0.31)
SCHEMBL2321336 0.73
SCHEMBL4369726 0.73 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
US-5386016-A 2\",3\",4'-tri(acetyl)-4\",6\"-ethylidine-β-D-glucopyranosides, their preparation and their use for the preparation of 4'-demethylepipodophyliotoxing ethylidene-β-D-glucopyranoside PIERRE FABRE MEDICAMENT (FR) 1995-01-31 US disclosed