SCHEMBL30853057

SCHEMBL30853057

C[C@H](CCO)Oc1cccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
MCHR1 Q99705 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MET P08581 1/20 0.34
CACNA2D1 P54289 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL24752408 1.00 CHRNB2 (0.39) CHRNB2CHRNA4MCHR1MEN1POLB
SCHEMBL29189625 1.00 CHRNB2 (0.39) CHRNB2CHRNA4MCHR1MEN1POLB
SCHEMBL27094511 0.81 S1PR4 (0.38) MCHR1MEN1POLBKMT2ASLC6A2
SCHEMBL27094512 0.81 S1PR4 (0.38) MCHR1MEN1POLBKMT2ASLC6A2
SCHEMBL3513772 0.78 MEN1 (0.46) CHRNB2CHRNA4MCHR1MEN1POLB
SCHEMBL30454073 0.78 MEN1 (0.46) CHRNB2CHRNA4MCHR1MEN1POLB
SCHEMBL20897941 0.77 CHRNB2 (0.36) CHRNB2CHRNA4LMNASMN1; SMN2
SCHEMBL20897947 0.77 CHRNB2 (0.36) CHRNB2CHRNA4LMNASMN1; SMN2
SCHEMBL16904329 0.75 CHRNB2 (0.40) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL9700633 0.74 MCHR1 (0.43) MCHR1MEN1KMT2ASLC6A2LMNA

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-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 CN disclosed