SCHEMBL29117240

SCHEMBL29117240

O=C(O)N1CCCC(OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ NAAA Q02083 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46

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
SCHEMBL29117236 1.00 CTSL (0.49) CTSLCTSBCTSKCHRNB2CHRNB4
SCHEMBL18426023 0.91 GRIN2D (0.52) CTSLCTSBCTSKGRIN2DGRIN3B
SCHEMBL2526379 0.91 GRIN2D (0.52) CTSLCTSBCTSKGRIN2DGRIN3B
SCHEMBL2525766 0.91 GRIN2D (0.52) CTSLCTSBCTSKGRIN2DGRIN3B
SCHEMBL11175416 0.89 MAPK1 (0.48) CTSLCTSBCTSKCHRNB2CHRNB4
SCHEMBL22581151 0.89 GRIN2D (0.56) CTSLCTSBCTSKCHRNB2CHRNB4
SCHEMBL8482073 0.89 GRIN2D (0.56) CTSLCTSBCTSKCHRNB2CHRNB4
SCHEMBL2940477 0.85 CTSL (0.57) CTSLCTSBCTSKGRIN2DGRIN3B
SCHEMBL18669297 0.84 LMNA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN2D
SCHEMBL18669294 0.84 LMNA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN2D

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-117177744-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2023-12-05 — — CN disclosed
Send feedback