SCHEMBL7384873

SCHEMBL7384873

COC(=O)CC[C@H]1CC[C@H](NC(=O)N(NC(C)=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DRD3 P35462 4/20 0.35
HTR2A P28223 1/20 0.35
EPHX1 P07099 1/20 0.34
SCN9A Q15858 1/20 0.34
EPHX2 P34913 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL7385405 1.00 DRD2 (0.41) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL7384878 1.00 DRD2 (0.41) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL7392980 0.87 DRD2 (0.36) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL7392978 0.87 DRD2 (0.36) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL8910493 0.82 DRD2 (0.37) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL8911065 0.79 KDM1A (0.36) DRD2TSHRKDM1ANPC1RAB9A
SCHEMBL7388699 0.72 CYP11B1 (0.43) KDM1ARAB9AEPHX2CYP11B1CYP11B2
SCHEMBL8413848 0.70 HRH3 (0.42) KDM1AEPHX2CYP11B1CYP11B2
SCHEMBL7395422 0.70 BRD4 (0.43) RAB9ACYP11B1CYP11B2
SCHEMBL8413686 0.68 KDM1A (0.41) KDM1AEPHX2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed