SCHEMBL31706095

SCHEMBL31706095

O=C(O)c1cncc(N2CCN(CC3COC3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ PLOD2 O00469 1/20 0.37
▸ PLOD3 O60568 1/20 0.37
▸ PLOD1 Q02809 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ CCR3 P51677 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35

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
Lithium Ion SCHEMBL31705364 0.88 CHRNB2 (0.37) CHRNB2CHRNA4PLOD2PLOD3PLOD1
Lithium Ion SCHEMBL31705412 0.88 CHRNB2 (0.37) CHRNB2CHRNA4PLOD2PLOD3PLOD1
SCHEMBL31705614 0.86 ATM (0.41) PLOD2PLOD3PLOD1BRAFNPC1
SCHEMBL31704987 0.81 BRAF (0.40) CHRNB2CHRNA4CHEK1PLOD2PLOD3
SCHEMBL29420013 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHEK1KMOCHRNB4
SCHEMBL20187819 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHEK1KMOCHRNB4
SCHEMBL686827 0.77 KMO (0.60) CHRNB2CHRNA4CHEK1PLOD2PLOD3
SCHEMBL31706768 0.77 KMO (0.60) CHRNB2CHRNA4CHEK1PLOD2PLOD3
SCHEMBL23610380 0.76 CHRNB2 (0.55) CHRNB2CHRNA4CHEK1KMONPC1
SCHEMBL29420017 0.76 CHRNB2 (0.55) CHRNB2CHRNA4CHEK1KMONPC1

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
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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