SCHEMBL6254308

SCHEMBL6254308

COCC(NC(=O)C(C)(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)co1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.38
▸ USP21 Q9UK80 4/20 0.38
▸ MAPT P10636 5/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6255139 0.83 NMBR (0.42) —
SCHEMBL6254300 0.76 RAB9A (0.35) USP21MAPTRAB9AFOLH1L3MBTL1
SCHEMBL6994303 0.72 ALDH1A1 (0.37) PGRMAPTUSP2FOLH1ALDH1A1
SCHEMBL6251031 0.72 ALDH1A1 (0.37) PGRMAPTUSP2FOLH1ALDH1A1
SCHEMBL6255326 0.70 NMBR (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL6252251 0.68 NMBR (0.48) —
SCHEMBL6254285 0.66 MAPT (0.46) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL7903988 0.62 HTR2A (0.44) PGRMAPTRAB9AALDH1A1MEN1
SCHEMBL10814638 0.60 MAPT (0.42) MAPTRAB9AFOLH1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10749326 0.59 MAPT (0.41) MAPTRAB9AFOLH1ALDH1A1MEN1

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-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 — — EP disclosed
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