SCHEMBL9465008

SCHEMBL9465008

O=c1c(Cc2ccc(Cl)cc2)nc(-c2ccccc2)nn1CCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ TSHR P16473 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AVPR1B P47901 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADRA1A P35348 3/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ ADRA1B P35368 3/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL9465745 0.96 SLC2A1 (0.47) MAPTSLC2A1TSHRMEN1MAPK1
SCHEMBL9465027 0.92 MAPT (0.54) MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL9465695 0.90 MEN1 (0.49) MAPTSMN1; SMN2SLC2A1TSHRMEN1
SCHEMBL9465249 0.89 MAPT (0.49) MAPTSMN1; SMN2LMNASLC2A1MEN1
SCHEMBL9464655 0.89 AVPR1B (0.47) MAPTSMN1; SMN2LMNASLC2A1TSHR
SCHEMBL9464813 0.87 AVPR1B (0.46) MAPTSMN1; SMN2LMNASLC2A1AVPR1B
SCHEMBL9464710 0.85 ALDH1A1 (0.45) MAPTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL9465413 0.85 MEN1 (0.52) MAPTSMN1; SMN2LMNASLC2A1TSHR
SCHEMBL9465687 0.84 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LMNASLC2A1MEN1
SCHEMBL9464598 0.84 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNATSHRMEN1

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
Send feedback