SCHEMBL29516262

SCHEMBL29516262

O=C1N(Cc2ccccc2)CC2CNCCN12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.47
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ HTR2C P28335 7/20 0.44
▸ HTR2B P41595 7/20 0.44
▸ HTR2A P28223 6/20 0.44
▸ F10 P00742 2/20 0.43
▸ HPN P05981 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ HGFAC Q04756 1/20 0.43
▸ CHRM3 P20309 4/20 0.43
▸ CHRM2 P08172 3/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL3602646 0.99 SIGMAR1 (0.46) SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL20942315 0.86 ENPP2 (0.43) HTR2CHTR2BHTR2AF10HPN
SCHEMBL17062837 0.86 F10 (0.42) HTR2CHTR2BHTR2AF10HPN
SCHEMBL31495468 0.83 GAA (0.48) SIGMAR1HTR2CHTR2BHTR2ACHRM3
SCHEMBL20616290 0.83 F10 (0.40) HTR2CHTR2BHTR2AF10HPN
SCHEMBL20616288 0.83 F10 (0.40) HTR2CHTR2BHTR2AF10HPN
Hydrochloric Acid SCHEMBL31570652 0.82 GAA (0.47) SIGMAR1HTR2CHTR2BHTR2ACHRM3
Hydrochloric Acid SCHEMBL30713220 0.82 GAA (0.47) SIGMAR1HTR2CHTR2BHTR2ACHRM3
Trifluoroacetic Acid SCHEMBL22390477 0.80 ENPP2 (0.39) HTR2CHTR2BHTR2AF10HPN
Trifluoroacetic Acid SCHEMBL31655669 0.80 F10 (0.39) HTR2CHTR2BHTR2AF10HPN

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-108349969-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阵列生物制药公司 2022-05-10 — — CN disclosed
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