SCHEMBL9464952

SCHEMBL9464952

O=c1c(Cc2ccccc2)nc(-c2cccc(Cl)c2)nn1CCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ AVPR1B P47901 3/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ACP1 P24666 1/20 0.39

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
SCHEMBL9464945 0.99 MAPT (0.45) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9465787 0.99 MAPT (0.45) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9465734 0.94 ADRA1A (0.48) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9464643 0.92 AVPR1B (0.46) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9465249 0.92 MAPT (0.49) MAPTADRA1AHRH1ADRA1BMEN1
SCHEMBL9464810 0.90 SIGMAR1 (0.50) MAPTADRA1AHRH1ALDH1A1LMNA
SCHEMBL9465687 0.88 SMN1; SMN2 (0.50) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL9464655 0.86 AVPR1B (0.47) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9464584 0.82 ADRA1A (0.53) MAPTADRA1AHRH1ADRA1BALDH1A1
SCHEMBL9464598 0.82 SMN1; SMN2 (0.46) MAPTADRA1AHRH1ADRA1BALDH1A1

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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