SCHEMBL11078734

SCHEMBL11078734

COc1ccccc1C(CN)CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 3/20 0.47
TDO2 P48775 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL11081476 0.85 SLC6A4 (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL11078299 0.83 ALDH1A1 (0.53) POLBNPSR1L3MBTL1ALDH1A1TDP1
SCHEMBL21632146 0.82 POLB (0.60) POLBHTTNPSR1L3MBTL1TSHR
SCHEMBL4582899 0.81 ADRA2A (0.62) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL30317538 0.81 CA1 (0.48) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL7153423 0.81 ADRA2A (0.62) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL1473451 0.81 CA1 (0.48) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL8423186 0.81 CA1 (0.48) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL30317544 0.81 ADRA2A (0.62) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL336166 0.81 TAAR1 (0.48) POLBHTTNPSR1L3MBTL1CA1

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