SCHEMBL28922653

SCHEMBL28922653

COC1Cc2ccccc2C(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.47
▸ HTR2B P41595 7/20 0.47
▸ HTR2A P28223 6/20 0.47
▸ ACHE P22303 5/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL22318255 0.78 LMNA (0.34) HTR2AKMT2ATSHRGAA
SCHEMBL15041795 0.77 HTR2C (0.53) HTR2CHTR2BHTR2AACHEKMT2A
SCHEMBL28922579 0.76 HTR2C (0.49) HTR2CHTR2BHTR2AACHEKMT2A
SCHEMBL28749727 0.75 DRD2 (0.41) HTR2CHTR2BHTR2AKCNH2
SCHEMBL10851353 0.75 CAPN1 (0.53) HTR2CHTR2BHTR2AACHEOPRM1
SCHEMBL8498091 0.75 CAPN1 (0.53) HTR2CHTR2BHTR2AACHEOPRM1
SCHEMBL10346073 0.73 HTR2C (0.47) HTR2CHTR2BHTR2AACHEKMT2A
SCHEMBL8782404 0.73 NPC1 (0.51) KMT2ANPC1PKMRAB9ATSHR
SCHEMBL10854074 0.72 CAPN1 (0.56) HTR2CHTR2BHTR2AACHETSHR
SCHEMBL10855534 0.72 CAPN1 (0.56) HTR2CHTR2BHTR2AACHETSHR

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-115397412-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2022-11-25 — — CN disclosed
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