SCHEMBL8343521

SCHEMBL8343521

CCN(CC)CCCNC(=O)C(=CC=Cc1cc2cc(Cl)ccc2[nH]1)OC

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.80
ATP6AP1 Q15904 1/20 0.48
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
PYGL P06737 4/20 0.39
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8345939 0.90 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1HRH4HRH3SMN1; SMN2
SCHEMBL8345934 0.90 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1HRH4HRH3SMN1; SMN2
SCHEMBL8345943 0.90 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1HRH4HRH3SMN1; SMN2
SCHEMBL6291679 0.88 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL6291675 0.88 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL6291678 0.88 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL6292835 0.82 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1MAPTPYGLALDH1A1
SCHEMBL6292833 0.82 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1MAPTPYGLALDH1A1
SCHEMBL6292838 0.82 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1MAPTPYGLALDH1A1
SCHEMBL8053300 0.80 ATP6V1B1 (0.56) ATP6V1B1SMN1; SMN2MAPTKMT2AALDH1A1

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-5981525-A FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed