SCHEMBL7357645

SCHEMBL7357645

CCCN1CCC[C@H](c2cccc(C(=O)OC)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.77
DRD2 P14416 9/20 0.65
DRD4 P21917 6/20 0.65
SIGMAR1 Q99720 3/20 0.65
NFKB1 P19838 1/20 0.65
PRCP P42785 1/20 0.65
EBP Q15125 1/20 0.65
DRD1 P21728 4/20 0.62
DRD5 P21918 4/20 0.62
ACHE P22303 1/20 0.62

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
SCHEMBL7355460 1.00 DRD3 (0.77) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7353501 0.93 DRD3 (0.67) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7346632 0.91 DRD3 (0.62) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL4827438 0.87 DRD2 (0.63) DRD3DRD2SIGMAR1
SCHEMBL7816859 0.87 DRD3 (1.00) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7346467 0.86 DRD3 (0.80) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7349481 0.86 DRD3 (0.80) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7347560 0.85 DRD3 (0.55) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7311359 0.84 DRD3 (0.54) DRD3DRD2DRD4SIGMAR1NFKB1
Hydrochloric Acid SCHEMBL7312417 0.81 ACHE (0.68) DRD3DRD2DRD4SIGMAR1NFKB1

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