SCHEMBL9464643

SCHEMBL9464643

CN1CCN(CCn2nc(-c3cccc(Cl)c3)nc(Cc3ccccc3)c2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ ADRA1A P35348 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TNK2 Q07912 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
SCHEMBL9464952 0.92 MAPT (0.46) AVPR1BMAPTALDH1A1ADRA1AHRH1
SCHEMBL9465787 0.91 MAPT (0.45) AVPR1BMAPTALDH1A1ADRA1AHRH1
SCHEMBL9464945 0.91 MAPT (0.45) AVPR1BMAPTALDH1A1ADRA1AHRH1
SCHEMBL9464810 0.90 SIGMAR1 (0.50) MAPTALDH1A1ADRA1AHRH1DRD2
SCHEMBL9465249 0.90 MAPT (0.49) AVPR1BMAPTADRA1AHRH1ADRA1B
SCHEMBL9465734 0.86 ADRA1A (0.48) AVPR1BMAPTALDH1A1ADRA1AHRH1
SCHEMBL9465687 0.86 SMN1; SMN2 (0.50) AVPR1BMAPTALDH1A1MEN1LMNA
SCHEMBL9464655 0.84 AVPR1B (0.47) AVPR1BMAPTALDH1A1ADRA1AHRH1
SCHEMBL9464584 0.83 ADRA1A (0.53) MAPTALDH1A1ADRA1AHRH1ADRA1B
SCHEMBL9464598 0.80 SMN1; SMN2 (0.46) AVPR1BMAPTALDH1A1ADRA1AHRH1

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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