SCHEMBL9786018

SCHEMBL9786018

CCc1c(CCNC(=O)CCC(=O)CCC(=O)NCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CC)ccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.48
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MTNR1B P49286 2/20 0.44
▸ APP P05067 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 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
SCHEMBL9786068 0.91 MTNR1A (0.48) MTNR1ALMNAALDH1A1POLBHTT
SCHEMBL9786073 0.90 MTNR1A (0.47) MTNR1ALMNAALDH1A1POLBHTT
SCHEMBL9786082 0.89 MTNR1A (0.46) MTNR1ALMNAALDH1A1POLBHTT
SCHEMBL32661221 0.78 MTNR1A (0.51) MTNR1ALMNAALDH1A1POLBHTT
SCHEMBL19692664 0.78 MTNR1A (0.51) MTNR1ALMNAALDH1A1POLBHTT
SCHEMBL7279369 0.75 HPGD (0.57) MTNR1ASMN1; SMN2MTNR1BTAAR1MEN1
SCHEMBL10382800 0.75 HDAC3 (0.52) MTNR1ALMNAALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL9786007 0.74 LTA4H (0.45) —
Hydrochloric Acid SCHEMBL9786107 0.74 LMNA (0.48) LMNAHTTSMN1; SMN2KMT2A
SCHEMBL10382562 0.73 HPGD (0.44) MTNR1ALMNAALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023378-A Hypotensive agents, antiischemic agents, urogenital disorders GLAXO GROUP LIMITED (GB) 1991-06-11 — — US disclosed
EP-0188361-B1 AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-03-06 — — EP disclosed
EP-0188361-A1 Amine derivatives GLAXO GROUP LIMITED (GB) 1986-07-23 — — EP disclosed
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