SCHEMBL9828599

SCHEMBL9828599

c1ccc(CC2CNCCNC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.64
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CCR3 P51677 2/20 0.44
POLB P06746 1/20 0.44
EED O75530 1/20 0.44

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
SCHEMBL30589132 0.92 GBA1 (0.61) GBA1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL1742163 0.91 GBA1 (0.63) GBA1SLC6A2SLC6A4SLC6A3CCR3
Hydrochloric Acid SCHEMBL21523631 0.89 GBA1 (0.61) GBA1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL4892499 0.88 GBA1 (0.78) GBA1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL4889591 0.88 GBA1 (0.78) GBA1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL892689 0.88 GBA1 (0.78) GBA1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL8547993 0.84 EED (0.61) GBA1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL1761058 0.84 EED (0.61) GBA1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL3473180 0.84 EED (0.61) GBA1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL27114036 0.83 GBA1 (0.55) GBA1CCR3

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
EP-0187371-B1 SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-19 EP disclosed
US-4678783-A CARDIOVASCULAR DISORDERS, HYPOTENSIVES, ARTERIOSCLEROSIS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-07-07 US disclosed
EP-0187371-A2 Substituted isoquinolinesulfonyl compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-16 EP disclosed