SCHEMBL7285063

SCHEMBL7285063

CCNCCc1cccc([C]=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ ACHE P22303 3/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ BCHE P06276 1/20 0.35

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
SCHEMBL910177 0.84 DRD2 (0.40) SIGMAR1CNR1
SCHEMBL3032722 0.77 XIAP (0.46) —
SCHEMBL910601 0.76 MGLL (0.43) SIGMAR1
SCHEMBL7292047 0.76 LPL (0.51) —
SCHEMBL1858750 0.75 TAAR1 (0.55) TAAR1CNR1
SCHEMBL5147568 0.75 LPL (0.53) —
SCHEMBL4083028 0.75 LPL (0.53) —
SCHEMBL7285070 0.75 MAOA (0.41) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL14430763 0.74 DRD2 (0.53) TAAR1CHRM2CHRM1CHRM3
SCHEMBL553063 0.74 TAAR1 (0.68) TAAR1SIGMAR1CNR1CYP2D6

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
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 — — US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 — — EP disclosed
Send feedback