SCHEMBL11079205

SCHEMBL11079205

NC1=NCC(c2cc(Br)cc(Br)c2)CN1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL11077392 0.84 KDM1A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11080147 0.83 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11082659 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11076311 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11082317 0.75 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11072435 0.74 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL11077326 0.74 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11078714 0.72 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11083490 0.72 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11080667 0.72 GSK3B (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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