SCHEMBL7351986

SCHEMBL7351986

C=CCN1CCC[C@@H](c2cccc(OC)c2)C1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.70
DRD3 P35462 8/20 0.63
KCNH2 Q12809 1/20 0.52
DRD1 P21728 4/20 0.48
DRD4 P21917 4/20 0.48
DRD5 P21918 4/20 0.48
HTR2C P28335 1/20 0.47
PROKR1 Q8TCW9 1/20 0.47
ACHE P22303 1/20 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
SCHEMBL7353465 0.84 DRD2 (0.81) DRD2DRD3KCNH2DRD1DRD4
SCHEMBL8437990 0.84 DRD2 (0.81) DRD2DRD3KCNH2DRD1DRD4
SCHEMBL2861863 0.82 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2861859 0.82 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
Ammonia Solution, Strong SCHEMBL7206823 0.81 DRD2 (0.97) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11627187 0.81 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
Bromide SCHEMBL7314081 0.81 DRD2 (0.97) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL7317357 0.81 DRD2 (0.97) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7822642 0.81 DRD2 (0.72) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7349653 0.81 DRD3 (0.67) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed