SCHEMBL28661949

SCHEMBL28661949

C[C@@H]1CNC[C@H]1Oc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.44
▸ SLC6A4 P31645 2/20 0.39
▸ NAAA Q02083 1/20 0.34
▸ HCRTR2 O43614 3/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32

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
SCHEMBL28661950 1.00 FURIN (0.44) FURINSLC6A4NAAAHCRTR2CHRNB2
SCHEMBL23564045 0.86 FURIN (0.42) FURINSLC6A4NAAACHRNB2CHRNA4
SCHEMBL2760233 0.81 SLC6A4 (0.46) FURINSLC6A4NAAAHCRTR2HCRTR1
SCHEMBL2148620 0.81 FURIN (0.48) FURINSLC6A4HCRTR2CHRNB2CHRNB4
SCHEMBL2148619 0.81 FURIN (0.48) FURINSLC6A4HCRTR2CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL28666157 0.80 SLC6A4 (0.45) FURINSLC6A4NAAAHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL29120065 0.80 SLC6A4 (0.45) FURINSLC6A4NAAAHCRTR2HCRTR1
SCHEMBL17687984 0.75 HTR7 (0.38) SLC6A4HTR2AHTR2CHTR2BSLC6A2
SCHEMBL19381822 0.74 SLC6A4 (0.47) SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL20069365 0.73 FURIN (0.43) FURINHCRTR2HCRTR1PDE3BPDE3A

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-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 — — CN disclosed
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