SCHEMBL7349481

SCHEMBL7349481

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.80
DRD2 P14416 9/20 0.67
DRD4 P21917 8/20 0.67
SIGMAR1 Q99720 3/20 0.67
NFKB1 P19838 1/20 0.67
PRCP P42785 1/20 0.67
EBP Q15125 1/20 0.67
DRD1 P21728 6/20 0.65
DRD5 P21918 6/20 0.65

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
SCHEMBL7346467 1.00 DRD3 (0.80) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7354538 0.93 DRD3 (0.69) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7348514 0.90 DRD3 (0.65) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7816859 0.89 DRD3 (1.00) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL4821900 0.86 DRD2 (0.65) DRD3DRD2SIGMAR1
SCHEMBL7355460 0.86 DRD3 (0.77) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7357645 0.86 DRD3 (0.77) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7353596 0.85 DRD3 (0.57) DRD3DRD2
SCHEMBL7313051 0.81 DRD3 (0.73) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7349090 0.81 DRD3 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641320-B1 SUBSTITUTED (S)-3-PHENYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR ANTAGONISTS UPJOHN CO (US) 2001-05-30 EP disclosed
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