SCHEMBL30839692

SCHEMBL30839692

CN(C(=O)OC(C)(C)C)c1ccc(N)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 1/20 0.43
▸ NR1H4 Q96RI1 3/20 0.40
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL6351465 0.87 NR1H4 (0.40) FSCN1NR1H4CYP3A4CYP2C9CYP2C19
SCHEMBL13574289 0.85 GAA (0.41) NR1H4CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL30369795 0.84 ABL1 (0.39) CYP2C9CYP2C19NR1H2TSHRALDH1A1
SCHEMBL18157855 0.84 ABL1 (0.39) CYP2C9CYP2C19NR1H2TSHRALDH1A1
SCHEMBL30370098 0.82 ABL1 (0.37) NR1H2BRD4PAX8MAPT
SCHEMBL18157853 0.82 ABL1 (0.37) NR1H2BRD4PAX8MAPT
SCHEMBL15156638 0.81 NR1H2 (0.37) CYP3A4NR1H2TSHRALDH1A1CASP1
SCHEMBL27270154 0.80 NR1H4 (0.36) NR1H4CYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL18157856 0.79 NR1H2 (0.36) HTR2CNR1H2ALDH1A1BRD4PAX8
SCHEMBL27267299 0.79 NR1H4 (0.36) NR1H4CYP3A4CYP2C9CYP2C19CHRM2

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-119948028-A Condensed-cyclic compound, pharmaceutical composition and application thereof 海南先声再明医药股份有限公司 2025-05-06 — — CN disclosed
WO-2024067792-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 海南先声再明医药股份有限公司 2024-04-04 — — WO disclosed
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