SCHEMBL30542597

SCHEMBL30542597

Fc1ccc2c(c1)NC(c1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PRCP P42785 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL26613371 1.00 ESR1 (0.45) ESR1ESR2HTR2CHTR2AMEN1
SCHEMBL26613451 0.89 ESR1 (0.55) ESR1ESR2HTR2CHTR2AMEN1
SCHEMBL29746348 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL26613515 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL26613394 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL28462603 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL26613543 0.81 ESR1 (0.43) ESR1ESR2HTR2CHTR2AMEN1
SCHEMBL29746266 0.81 ESR1 (0.43) ESR1ESR2HTR2CHTR2AMEN1
SCHEMBL13784817 0.81 ESR1 (0.51) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL30124970 0.81 ESR1 (0.51) ESR1ESR2MEN1KMT2ANPC1

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-119403554-A Therapeutic or prophylactic agent for amyotrophic lateral sclerosis 东丽株式会社 2025-02-07 — — CN disclosed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 — — CN disclosed
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