SCHEMBL7382004

SCHEMBL7382004

C=CC(c1cccc(C#N)c1)C1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
CHEK1 O14757 4/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL7349657 0.82 SLC6A4 (0.36) DRD2DRD3SLC6A2SLC6A4CHEK1
SCHEMBL2880193 0.81 SLC6A2 (0.39) SLC6A2SLC6A4
SCHEMBL7382584 0.81 DRD2 (0.55) DRD2DRD3SLC6A2SLC6A4CHEK1
SCHEMBL7351989 0.79 EED (0.48) SLC6A2SLC6A4MEN1ALDH1A1CYP2D6
SCHEMBL7352583 0.78 DRD3 (0.51) DRD2DRD3SLC6A2SLC6A4CHEK1
SCHEMBL7351591 0.76 DRD3 (0.49) DRD2DRD3SLC6A2SLC6A4CYP2D6
SCHEMBL7349237 0.75 SLC6A2 (0.50) DRD2DRD3SLC6A2SLC6A4EPHX1
SCHEMBL7347393 0.71 DRD2 (0.44) DRD2DRD3SLC6A2SLC6A4CHEK1
SCHEMBL3595094 0.71 SLC6A2 (0.48) DRD2DRD3SLC6A2SLC6A4ALDH1A1
SCHEMBL1858677 0.71 SLC6A2 (0.48) DRD2DRD3SLC6A2SLC6A4ALDH1A1

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