SCHEMBL9465107

SCHEMBL9465107

Cc1nc(-c2cccc(Cl)c2)nn(CCN2CCOCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 10/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ SLC2A1 P11166 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 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
SCHEMBL9464991 0.86 ALDH1A1 (0.47) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9464852 0.86 AVPR1B (0.53) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9465629 0.86 TLR9 (0.53) MEN1MAPTKMT2ASMN1; SMN2TLR9
SCHEMBL9465249 0.83 MAPT (0.49) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9464655 0.79 AVPR1B (0.47) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9465687 0.78 SMN1; SMN2 (0.50) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9465102 0.77 AVPR1B (0.42) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9464643 0.74 AVPR1B (0.46) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9464598 0.74 SMN1; SMN2 (0.46) AVPR1BMEN1LMNAMAPTKMT2A
SCHEMBL9464952 0.74 MAPT (0.46) AVPR1BMEN1LMNAMAPTKMT2A

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