SCHEMBL8912121

SCHEMBL8912121

COC(=O)CCc1ccc(N2CCN(c3ccc(CC(C)N)cc3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
S1PR1 P21453 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HDAC1 Q13547 3/20 0.39
SLC6A4 P31645 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 1/20 0.37
EPHX2 P34913 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL7281838 0.88 HRH3 (0.44) HRH3S1PR1ADRB2ADRB1HDAC1
Hydrochloric Acid SCHEMBL7275455 0.87 HRH3 (0.40) HRH3S1PR1ADRB2ADRB1HDAC1
Hydrochloric Acid SCHEMBL7282229 0.86 HRH3 (0.43) HRH3S1PR1ADRB2ADRB1HDAC1
SCHEMBL8910777 0.86 HRH3 (0.39) HRH3S1PR1ADRB2ADRB1HDAC1
SCHEMBL7283243 0.85 HRH3 (0.44) HRH3S1PR1ADRB2ADRB1HDAC1
SCHEMBL27397736 0.84 MEN1 (0.51) HRH3S1PR1HDAC1
Hydrochloric Acid SCHEMBL7272819 0.82 HRH3 (0.44) HRH3S1PR1ADRB2ADRB1HDAC1
SCHEMBL7280993 0.81 HDAC1 (0.46) HRH3S1PR1HDAC1
SCHEMBL7283131 0.81 HRH3 (0.43) HRH3S1PR1ADRB2ADRB1HDAC1
Hydrochloric Acid SCHEMBL7283462 0.81 F10 (0.40) HRH3S1PR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed