SCHEMBL9803763

SCHEMBL9803763

COc1cccc(CCCNCCCCN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2OCC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADRB2 P07550 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ CTSD P07339 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 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
SCHEMBL9803091 0.91 KDM4E (0.46) KDM4EADRB2SLC2A1MAPK14
SCHEMBL9803767 0.89 NR2F2 (0.41) KDM4EMEN1KMT2ASLC2A1NR2F2
Oxalic Acid SCHEMBL9803165 0.89 KDM4E (0.49) KDM4EMEN1KMT2AADRB2MAPK14
SCHEMBL9803513 0.82 MAPK14 (0.44) MAPK14ALDH1A1
SCHEMBL9803476 0.81 OPRM1 (0.44) KDM4EMAPK14ALDH1A1
Hydrochloric Acid SCHEMBL9803523 0.80 OPRM1 (0.43) KDM4EMEN1KMT2AMAPK14ALDH1A1
SCHEMBL9803095 0.80 KCNH2 (0.44) KDM4EMEN1KMT2AALDH1A1GAA
Oxalic Acid SCHEMBL9803157 0.78 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL30357949 0.76 GPBAR1 (0.42) MAPK14ALDH1A1
SCHEMBL9427352 0.73 NPC1 (0.42) MEN1KMT2AADRB2RAB9AMTNR1A

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
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 — — US claimed
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