SCHEMBL23615933

SCHEMBL23615933

C=C(c1ccc(N2CCCCC2)cc1)C(C)c1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HIF1A Q16665 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23615998 0.82 HIF1A (0.48) HIF1AMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL10473871 0.80 KMT2A (0.47) CYP2D6CHRM2ADRA2BADRA2CCHRM3
SCHEMBL300433 0.78 CHKA (0.56) CYP2D6MAPTKMT2AMEN1CYP2C19
SCHEMBL18618234 0.78 CHKA (0.56) CYP2D6MAPTKMT2AMEN1CYP2C19
Hydrochloric Acid SCHEMBL29156885 0.76 MEN1 (0.55) CYP2D6MAPTKMT2AMEN1CYP2C19
SCHEMBL2056142 0.76 KDM4E (0.57) CYP2D6MAPTKMT2AMEN1CYP2C19
SCHEMBL23615939 0.76 HIF1A (0.42) HIF1AMAPTKMT2AALDH1A1ALOX15
SCHEMBL19675453 0.75 MAPT (0.50) HIF1AMAPTKMT2AMEN1L3MBTL1
SCHEMBL24715763 0.73 KDM4E (0.57) CYP2D6MAPTKMT2AMEN1CYP2C19
SCHEMBL27565323 0.70 ALDH1A1 (0.53) HIF1AMAPTKMT2AMEN1CYP2C19

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
EP-3845516-A1 NOVEL HIF-1alfa INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ANGIOGENESIS-ASSOCIATED EYE DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT Seoul National University R & DB Foundation (KR) 2021-07-07 — — EP disclosed
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