SCHEMBL6254285

SCHEMBL6254285

COc1ccc(C(NC(=O)C(C)(C)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C2CCCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAOB P27338 14/20 0.43
▸ MAOA P21397 7/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SGK1 O00141 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL6990221 0.83 NMBR (0.48) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL6251031 0.77 ALDH1A1 (0.37) MAPTLMNAMEN1KMT2ASGK1
SCHEMBL6994303 0.77 ALDH1A1 (0.37) MAPTLMNAMEN1KMT2ASGK1
SCHEMBL6254281 0.77 FPR1 (0.51) MAPTLMNAMEN1KMT2AMAOB
SCHEMBL6252251 0.73 NMBR (0.48) —
SCHEMBL6253991 0.68 ALDH1A1 (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL6253217 0.67 MAPT (0.44) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6254308 0.66 PGR (0.38) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL4080094 0.65 MAPT (0.64) MAPTLMNAMEN1KMT2AMAOB
SCHEMBL10965397 0.65 RAB9A (0.77) MAPTLMNAMEN1KMT2AMAOB

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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