SCHEMBL11076527

SCHEMBL11076527

CCSc1ccc(C(CN)CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.48
MAOA P21397 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
SCHEMBL11078963 0.86 SLC6A4 (0.42) SLC6A4MAOA
SCHEMBL11080698 0.79 SLC6A4 (0.36) SLC6A4MAOA
SCHEMBL11078427 0.78 SLC6A4 (0.55) SLC6A4MAOA
SCHEMBL346860 0.76 SLC6A4 (0.56) SLC6A4MAOA
SCHEMBL19201251 0.76 SLC6A4 (0.45) SLC6A4MAOA
SCHEMBL11080152 0.76 ALDH1A1 (0.42) SLC6A4MAOA
SCHEMBL13175896 0.76 SLC6A4 (0.53) SLC6A4MAOA
SCHEMBL28700561 0.75 SLC6A4 (0.53) SLC6A4MAOA
SCHEMBL11072633 0.75 ESR1 (0.42) SLC6A4MAOA
SCHEMBL1104208 0.72 SLC6A4 (0.50) SLC6A4MAOA

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed