SCHEMBL9465734

SCHEMBL9465734

O=c1c(Cc2cccc(Cl)c2)nc(-c2ccccc2)nn1CCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ AVPR1B P47901 3/20 0.41
▸ F2R P25116 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ DRD2 P14416 2/20 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
SCHEMBL9464952 0.94 MAPT (0.46) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9464945 0.93 MAPT (0.45) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9465787 0.93 MAPT (0.45) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9464655 0.92 AVPR1B (0.47) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9464598 0.88 SMN1; SMN2 (0.46) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9464643 0.86 AVPR1B (0.46) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9465249 0.86 MAPT (0.49) ADRA1AHRH1ADRA1BMAPTMEN1
SCHEMBL9464810 0.84 SIGMAR1 (0.50) ADRA1AHRH1MAPTALDH1A1LMNA
SCHEMBL9465687 0.82 SMN1; SMN2 (0.50) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL9465027 0.81 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LTA4HSIGMAR1

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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