SCHEMBL11077009

SCHEMBL11077009

CC(C)c1cccc(C2CN=C(N)N(C)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.34
BRD4 O60885 3/20 0.34
DPP4 P27487 1/20 0.33
F2R P25116 1/20 0.33
SRD5A1 P18405 1/20 0.33
NOTUM Q6P988 1/20 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
SCHEMBL11084815 0.83 HPGD (0.38) BRD4SRD5A1
SCHEMBL11087338 0.82 DRD2 (0.44) BRD4
SCHEMBL11100035 0.81 ATM (0.41)
SCHEMBL11078137 0.81 SLC6A2 (0.41)
SCHEMBL11079789 0.81 BRD4 (0.36) BRD4SRD5A1
SCHEMBL11072826 0.79 BRD4 (0.53) BRD4SRD5A1
SCHEMBL11068920 0.77 DRD2 (0.48)
SCHEMBL11287944 0.75 MGLL (0.35) MGLLDPP4F2RNOTUM
SCHEMBL24809401 0.75 DRD2 (0.40) MGLLDPP4F2RNOTUM
SCHEMBL11079226 0.74 MGLL (0.35) MGLL

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 2 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
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