SCHEMBL9406887

SCHEMBL9406887

CCC(NC(=O)c1cc(Cl)c(N)cc1OC)C1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.54
HTR3A P46098 2/20 0.49
DRD2 P14416 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48

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
SCHEMBL11084562 0.96 HTR4 (0.49) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL11078368 0.87 HTR4 (0.39) HTR4
SCHEMBL7381604 0.85 DRD2 (0.44) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL21055572 0.85 DRD2 (0.53) HTR4HTR3ADRD2
SCHEMBL3314494 0.85 DRD2 (0.53) HTR4HTR3ADRD2
SCHEMBL21054909 0.85 DRD2 (0.53) HTR4HTR3ADRD2
SCHEMBL7372752 0.85 LMNA (0.47) HTR4HTR3ADRD2
SCHEMBL11083119 0.84 SLC6A3 (0.43) DRD2
SCHEMBL11050072 0.84 ALDH1A1 (0.58) DRD2
SCHEMBL11049333 0.84 ALDH1A1 (0.47) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282547-B1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ERBAMONT INC (US) 1994-01-05 EP disclosed
EP-0282547-A4 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN 1990-11-28 EP disclosed
EP-0236646-B1 ORTHO-ANISAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATIONS Laboratoires DELAGRANGE, Société Anonyme (FR) 1990-10-10 EP disclosed
EP-0282547-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN. ADRIA LAB INC (US) 1988-09-21 EP disclosed
WO-1988001866-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ADRIA LABORATORIES, INC. (US) 1988-03-24 WO disclosed