SCHEMBL9466973

SCHEMBL9466973

C1=C(c2cccs2)CCN(CCCCc2ccncc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
TMEM97 Q5BJF2 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PARP1 P09874 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9467059 0.89 SIGMAR1 (0.80) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL9467898 0.83 SIGMAR1 (0.71) SIGMAR1PPARGPPARAPARP1DRD2
SCHEMBL9466832 0.83 SIGMAR1 (1.00) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL9719779 0.81 SIGMAR1 (0.97) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL9468037 0.81 SIGMAR1 (0.69) SIGMAR1PPARGPPARADRD2DRD4
SCHEMBL9467746 0.79 SIGMAR1 (0.65) SIGMAR1PPARGPPARAPARP1
SCHEMBL9473840 0.79 SIGMAR1 (0.92) SIGMAR1TMEM97PARP1DRD2DRD4
SCHEMBL9466872 0.79 SIGMAR1 (1.00) SIGMAR1TMEM97PPARGPPARAPARP1
SCHEMBL10532112 0.79 SIGMAR1 (0.64) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL8907614 0.77 DRD2 (0.71) SIGMAR1DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187280-A Dopaminergic, antipsychotic and antihypertensive agents WARNER-LAMBERT COMPANY (US) 1993-02-16 US disclosed
US-5118691-A Substituted tetrahydropyridines as central nervous system agents WARNER-LAMBERT CO. (US) 1992-06-02 US disclosed
US-5045550-A Antipsychotic, hypotensive agents, dopaminergic WARNER-LAMBERT CO. (US) 1991-09-03 US disclosed