SCHEMBL30508182

SCHEMBL30508182

Brc1ccc2c(c1)COC21CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HTR2C P28335 2/20 0.39
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TDP2 O95551 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 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
SCHEMBL18373201 0.89 HTR2C (0.40) PNMTASIC3HTR2CSIGMAR1TDP2
SCHEMBL31430262 0.88 SLC6A4 (0.40) PNMTASIC3SLC6A4SIGMAR1TDP2
SCHEMBL30098011 0.83 PNMT (0.40) PNMTASIC3HTR2CSLC6A4TDP2
SCHEMBL15505712 0.83 PNMT (0.40) PNMTASIC3HTR2CSLC6A4TDP2
SCHEMBL31394396 0.82 LMNA (0.40) PNMTASIC3SLC6A4TDP2
Hydrochloric Acid SCHEMBL19616590 0.82 PNMT (0.39) PNMTASIC3HTR2CSLC6A4TDP2
SCHEMBL3745717 0.81 AVPR1A (0.40) SIGMAR1
SCHEMBL737193 0.81 DPP4 (0.42) HTR2CSIGMAR1HTR2A
SCHEMBL1275908 0.81 HTR2C (0.47) PNMTHTR2CSIGMAR1HTR2AHTR2B
Hydrochloric Acid SCHEMBL4985671 0.79 AVPR1A (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed