SCHEMBL31111348

SCHEMBL31111348

N#Cc1cccc2c1OCCNC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.43
SSTR4 P31391 12/20 0.39
CD44 P16070 2/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SSTR1 P30872 2/20 0.35
SSTR2 P30874 2/20 0.35
SSTR3 P32745 2/20 0.35
SSTR5 P35346 2/20 0.35
MAOB P27338 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
SCHEMBL13765600 1.00 PNMT (0.43) PNMTSSTR4CD44DRD2DRD3
SCHEMBL3188143 0.78 PARP1 (0.47) PNMTDRD2
SCHEMBL20565032 0.76 RIPK1 (0.42)
SCHEMBL21800420 0.75 PNMT (0.44) PNMT
SCHEMBL21867302 0.75 NOTUM (0.36) PNMTSSTR4DRD2DRD3
Hydrochloric Acid SCHEMBL20564467 0.75 RIPK1 (0.41)
Hydrochloric Acid SCHEMBL20565224 0.75 RIPK1 (0.41)
SCHEMBL4695076 0.75 PARP1 (0.38) PNMT
SCHEMBL22513280 0.75 SSTR4 (0.46) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL20565286 0.75 SSTR4 (0.47) SSTR4SSTR1SSTR2SSTR3SSTR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed