SCHEMBL9458386

SCHEMBL9458386

COc1cccc2c1C1CN(CCN)CC1CC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.54
ADRA1B P35368 3/20 0.51
DRD2 P14416 2/20 0.47

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
SCHEMBL9458382 1.00 HTR1A (0.54) HTR1AADRA1BDRD2
SCHEMBL8142986 1.00 HTR1A (0.54) HTR1AADRA1BDRD2
SCHEMBL8144144 1.00 HTR1A (0.54) HTR1AADRA1BDRD2
SCHEMBL9458377 1.00 HTR1A (0.54) HTR1AADRA1BDRD2
SCHEMBL9458306 0.93 HTR1A (0.52) HTR1AADRA1B
SCHEMBL9458301 0.93 HTR1A (0.52) HTR1AADRA1B
SCHEMBL9458298 0.93 HTR1A (0.52) HTR1AADRA1B
SCHEMBL7851460 0.92 HTR1A (0.51) HTR1AADRA1B
SCHEMBL9812520 0.89 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9458004 0.89 HTR1A (0.65) HTR1AADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422134-A1 5-HT SELECTIVE AGENTS. ABBOTT LAB (US) 1991-04-17 EP claimed
WO-1990006927-A1 5-HT SELECTIVE AGENTS ABBOTT LABORATORIES (US) 1990-06-28 WO claimed
US-5244888-A Hexahydroindenopyrroles and hexahydrobenzisoindoles ABBOTT LABORATORIES (US) 1993-09-14 US disclosed
US-5049564-A Hypotensive, 5-hydroxytryptamine ABBOTT LABORATORIES (US) 1991-09-17 US disclosed
EP-0422134-A1 5-HT SELECTIVE AGENTS. ABBOTT LAB (US) 1991-04-17 EP disclosed
WO-1990006927-A1 5-HT SELECTIVE AGENTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed