SCHEMBL26091592

SCHEMBL26091592

O=C(CCN1CCCC1)N1CCN(CC2CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CHRM2 P08172 3/20 0.41
▸ CHRM4 P08173 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ POLB P06746 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL30910079 1.00 ALDH1A1 (0.42) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL26089146 0.99 ALDH1A1 (0.44) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL30379185 0.99 ALDH1A1 (0.44) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL30379571 0.90 DRD2 (0.45) ALDH1A1KMT2ADRD2DRD4CHRM2
SCHEMBL26090344 0.90 DRD2 (0.45) ALDH1A1KMT2ADRD2DRD4CHRM2
SCHEMBL30378591 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ADRD2DRD4POLB
SCHEMBL26089096 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ADRD2DRD4POLB
SCHEMBL29220788 0.83 TSHR (0.42) ALDH1A1KMT2APOLBTSHRLMNA
SCHEMBL30379007 0.83 TSHR (0.42) ALDH1A1KMT2APOLBTSHRLMNA
SCHEMBL30910129 0.81 BRD4 (0.43) ALDH1A1KMT2ATSHRMAPK1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 — — CN claimed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 — — WO claimed
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 — — CN disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 — — WO disclosed
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