SCHEMBL8808944

SCHEMBL8808944

COc1cccc2c1[C@@H]1CCN(C(C)c3ccccc3)[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 1.00
DRD2 P14416 6/20 0.58

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 0.77 HTR1A (0.62) HTR1ADRD2
SCHEMBL9458475 0.77 HTR1A (0.62) HTR1ADRD2
SCHEMBL9458466 0.77 HTR1A (0.62) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458338 0.76 HTR1A (0.61) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458335 0.76 HTR1A (0.61) HTR1ADRD2
SCHEMBL8810282 0.72 HTR1A (1.00) HTR1ADRD2
SCHEMBL8810279 0.72 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899835 0.71 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899827 0.71 HTR1A (0.98) HTR1ADRD2
SCHEMBL7850563 0.71 HTR1A (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586525-B1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES UPJOHN CO (US) 1997-04-16 EP disclosed
US-5486611-A CENTRAL NERVOUS SYSTEM THE UPJOHN COMPANY (US) 1996-01-23 US disclosed