SCHEMBL4654859

SCHEMBL4654859

Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 15/20 1.00
GLRB P48167 15/20 1.00
CYP3A4 P08684 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
TAS2R10 Q9NYW0 2/20 0.79
SCN1A P35498 1/20 0.79
TAS2R46 P59540 1/20 0.79
SCN2A Q99250 1/20 0.79
SCN3A Q9NY46 1/20 0.79
CHRM1 P11229 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73

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
SCHEMBL24177883 1.00 GLRA1 (1.00) GLRA1GLRBCYP3A4MEN1KMT2A
Strychnine SCHEMBL12549549 0.88 GLRA1 (1.00) GLRA1GLRBCYP3A4MEN1KMT2A
Strychnine SCHEMBL93798 0.88 GLRA1 (1.00) GLRA1GLRBCYP3A4MEN1KMT2A
Strychnine SCHEMBL5317062 0.87 GLRA1 (0.98) GLRA1GLRBCYP3A4MEN1KMT2A
Strychnine SCHEMBL25300604 0.87 GLRA1 (0.98) GLRA1GLRBCYP3A4MEN1KMT2A
SCHEMBL23694422 0.86 TAS2R10 (0.79) GLRA1GLRBCYP3A4MEN1KMT2A
SCHEMBL23693967 0.86 TAS2R10 (0.79) GLRA1GLRBCYP3A4MEN1KMT2A
SCHEMBL23693968 0.86 TAS2R10 (0.79) GLRA1GLRBCYP3A4MEN1KMT2A
Strychnine SCHEMBL578374 0.85 GLRA1 (0.93) GLRA1GLRBCYP3A4MEN1KMT2A
Brucine SCHEMBL113229 0.84 TAS2R10 (1.00) GLRA1GLRBCYP3A4MEN1KMT2A

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-1682152-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CNS RESPONSE (US) 2008-12-03 EP disclosed
EP-1682152-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CNS Response (US) 2006-07-26 EP disclosed
US-20050118286-A1 Compositions and methods for treatment of nervous system disorders CNS RESPONSE 2005-06-02 US disclosed
WO-2005044190-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CNS RESPONSE (US) 2005-05-19 WO disclosed
US-20050096311-A1 comprising an anticonvulsant and a neuroactive modulator; eg childhood disorders, cognitive disorders, substance disorders, schizophrenia, psychotic disorders mood disorders, anxiety disorders, somatoform disorders, factitious disorders, dissociative disorders, sexual disorders, gender identity disorders CNS RESPONSE (US) 2005-05-05 US disclosed