SCHEMBL7272786

SCHEMBL7272786

COC(=O)CCc1ccc(N2CCN(c3ccc(C4(N)CC4)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
S1PR1 P21453 2/20 0.39
HDAC1 Q13547 2/20 0.38
EPHX2 P34913 1/20 0.38
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
F10 P00742 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8417046 0.95 AKT2 (0.45) AKT1AKT2HRH3S1PR1HDAC1
SCHEMBL7280631 0.85 S1PR1 (0.47) S1PR1HDAC1
SCHEMBL7283243 0.84 HRH3 (0.44) HRH3S1PR1HDAC1EPHX2CYP4F2
SCHEMBL7281838 0.84 HRH3 (0.44) HRH3S1PR1HDAC1EPHX2CYP4F2
Hydrochloric Acid SCHEMBL7282229 0.83 HRH3 (0.43) HRH3S1PR1HDAC1EPHX2CYP4F2
SCHEMBL27397736 0.83 MEN1 (0.51) HRH3S1PR1HDAC1OPRM1KCNH2
SCHEMBL7283766 0.81 S1PR1 (0.46) AKT2HRH3S1PR1HDAC1
SCHEMBL7283131 0.81 HRH3 (0.43) HRH3S1PR1HDAC1EPHX2CYP4F2
SCHEMBL7280993 0.81 HDAC1 (0.46) HRH3S1PR1HDAC1MAPT
SCHEMBL8912121 0.80 HRH3 (0.41) HRH3S1PR1HDAC1EPHX2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092769-A Cyclic urea derivatives, the method that contains the pharmaceutical composition of these compounds and prepare them THOMAE GMBH DR K (DE) 1994-09-28 CN claimed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP claimed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
CN-1092769-A Cyclic urea derivatives, the method that contains the pharmaceutical composition of these compounds and prepare them THOMAE GMBH DR K (DE) 1994-09-28 CN disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed