SCHEMBL8918756

SCHEMBL8918756

NCCCCCCOc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS1 P29475 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL2147268 0.98 ATM (0.51) ATML3MBTL1NOS1ITGB3ITGA2B
SCHEMBL8432804 0.91 DRD4 (0.50) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL17465617 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL7898603 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL17445905 0.87 ATM (0.60) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL7679458 0.87 LSS (0.61) L3MBTL1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7686335 0.85 LSS (0.60) L3MBTL1ITGB3ITGA2B
SCHEMBL1784442 0.85 TAAR1 (0.60) ATML3MBTL1DRD4DRD2DRD3
SCHEMBL7702938 0.83 HDAC1 (0.43)
Hydrochloric Acid SCHEMBL30624645 0.83 TAAR1 (0.58) ATML3MBTL1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed