SCHEMBL7352160

SCHEMBL7352160

C=Cc1cccc(C(CC)C2CCCNC2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 6/20 0.34
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 1/20 0.33
EED O75530 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL7349510 0.81 SLC6A3 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7353887 0.79 EED (0.52) SLC6A2SLC6A4SLC6A3EED
SCHEMBL7352583 0.79 DRD3 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6
Bromide SCHEMBL7596622 0.76 CDK7 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL7355465 0.74 ACP1 (0.41) SLC6A4SLC6A3
SCHEMBL28244631 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL28244628 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7352817 0.72 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3PKMCTDSP1
Pyrrolidine SCHEMBL21555692 0.70 TP53 (0.42) TP53TDP1
SCHEMBL7353952 0.70 EED (0.50) SLC6A2SLC6A4SLC6A3EED

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