SCHEMBL17870841

SCHEMBL17870841

CC(C)CN1CCC/C(C(=O)O)=C\c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
LMNA P02545 1/20 0.37
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 5/20 0.36
GRM7 Q14831 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SHMT2 P34897 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17870863 1.00 PIK3CD (0.42) PIK3CDLMNACHRM2CHRM4CHRM1
SCHEMBL6520807 0.83 LMNA (0.41) PIK3CDLMNAGAAALDH1A1KDM4E
SCHEMBL6525034 0.83 LMNA (0.41) PIK3CDLMNAGAAALDH1A1KDM4E
SCHEMBL19747069 0.82 MEN1 (0.44) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL17870853 0.82 MEN1 (0.44) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL5545260 0.79 TNKS (0.44) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL5545264 0.79 TNKS (0.44) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL4181530 0.77 CA12 (0.40) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL4185898 0.76 MAPT (0.40) LMNAGAAALDH1A1KDM4E
SCHEMBL6516899 0.74 LMNA (0.45) PIK3CDLMNA

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-3237424-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS Tobira Therapeutics, Inc. (US) 2017-11-01 EP claimed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 WO claimed
EP-3237424-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS Tobira Therapeutics, Inc. (US) 2017-11-01 EP disclosed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 WO disclosed