SCHEMBL7347393

SCHEMBL7347393

N#Cc1cccc(C(Cc2cccs2)C2CCCNC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
CHEK1 O14757 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 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
SCHEMBL7349237 0.82 SLC6A2 (0.50) DRD2DRD3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL7352583 0.81 DRD3 (0.51) DRD2DRD3SLC6A2SLC6A4CHEK1
SCHEMBL7351591 0.79 DRD3 (0.49) DRD2DRD3SLC6A2SLC6A4CYP2D6
SCHEMBL7382584 0.74 DRD2 (0.55) DRD2DRD3SLC6A2SLC6A4MEN1
SCHEMBL7382004 0.71 DRD2 (0.51) DRD2DRD3SLC6A2SLC6A4MEN1
SCHEMBL2374998 0.70 CTSC (0.40) MEN1KMT2AUSP2NSD2NSD3
SCHEMBL2374755 0.69 NPC1 (0.46) MEN1KMT2ACYP2C19ALDH1A1HPGD
SCHEMBL1858677 0.67 SLC6A2 (0.48) DRD2DRD3SLC6A2SLC6A4CYP2D6
SCHEMBL3595094 0.67 SLC6A2 (0.48) DRD2DRD3SLC6A2SLC6A4CYP2D6
SCHEMBL1858679 0.67 SLC6A2 (0.48) DRD2DRD3SLC6A2SLC6A4CYP2D6

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