SCHEMBL29137918

SCHEMBL29137918

Brc1cccc2cn[c]cc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
AXL P30530 1/20 0.37
BACE1 P56817 2/20 0.36
GRM5 P41594 1/20 0.32
KCNH2 Q12809 1/20 0.32
AHR P35869 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL1397052 0.84 NOS1 (0.37) NOS1AXLBACE1AHRENPP3
SCHEMBL212027 0.76 MAPT (0.35) LMNA
SCHEMBL2357116 0.76 ALDH1A1 (0.45) SMN1; SMN2
SCHEMBL7470262 0.73 ALDH1A1 (0.50) LMNASMN1; SMN2
SCHEMBL24690 0.72 CCR1 (0.52) LMNASMN1; SMN2
SCHEMBL29142758 0.72 GRM5 (0.30) GRM5
SCHEMBL659473 0.70 NOS1 (0.42) NOS1AXLBACE1AHRLMNA
SCHEMBL29548266 0.70 NOS1 (0.42) NOS1AXLBACE1AHRLMNA
SCHEMBL4854082 0.69 ALDH1A1 (0.53) NOS1SMN1; SMN2
SCHEMBL9196 0.69 MAPT (0.36) BACE1

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
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed