SCHEMBL9458475

SCHEMBL9458475

COc1cccc2c1C1CN([C@@H](C)c3ccccc3)CC1CC2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.62
DRD2 P14416 6/20 0.45

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
SCHEMBL9458462 1.00 HTR1A (0.62) HTR1ADRD2
SCHEMBL9458466 1.00 HTR1A (0.62) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458338 0.99 HTR1A (0.61) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458335 0.99 HTR1A (0.61) HTR1ADRD2
SCHEMBL7845967 0.78 HTR1A (0.43) HTR1ADRD2
SCHEMBL7835585 0.78 HTR1A (0.43) HTR1ADRD2
SCHEMBL8100761 0.78 HTR1A (0.43) HTR1ADRD2
SCHEMBL8099072 0.78 HTR1A (0.43) HTR1ADRD2
Hydrochloric Acid SCHEMBL7851181 0.77 HTR1A (0.42) HTR1ADRD2
SCHEMBL8808944 0.77 HTR1A (1.00) HTR1ADRD2

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