SCHEMBL19906135

SCHEMBL19906135

Cc1cc2nc(-c3ccnc(-c4cnc5c(c4)OCCN5C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
RRM1 P23921 1/20 0.35
RRM2B Q7LG56 1/20 0.35
GRM5 P41594 4/20 0.34
SYK P43405 1/20 0.33
CPT1A P50416 2/20 0.32
CPT1B Q92523 2/20 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
SCHEMBL19906394 0.91 GRM5 (0.36) GRM5CPT1ACPT1B
SCHEMBL19906108 0.90 CPT1A (0.35) GRM5CPT1ACPT1B
SCHEMBL19906107 0.89 CPT1A (0.32) CPT1ACPT1B
SCHEMBL19906136 0.89 GRM5 (0.36) GRM5SYKCPT1ACPT1B
SCHEMBL19906318 0.85 PPARD (0.37)
SCHEMBL19906288 0.84 CSF1R (0.35)
SCHEMBL19905857 0.84 HRH4 (0.34)
SCHEMBL19906122 0.84 KDM4C (0.34)
SCHEMBL19906126 0.83 KDM4E (0.33)
SCHEMBL19906320 0.83 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed