SCHEMBL6993237

SCHEMBL6993237

O=C(NC(c1ccccn1)C1CCCCC1)[C@@H](Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
ACE P12821 3/20 0.46
CPA1 P15085 3/20 0.46
ACE2 Q9BYF1 3/20 0.46
PSMB5 P28074 4/20 0.44
ALDH1A1 P00352 2/20 0.42
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 1/20 0.41
PSMB6 P28072 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
SCHEMBL6254877 1.00 MME (0.46) MMEACECPA1ACE2PSMB5
SCHEMBL6180760 0.74 NPC1 (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL14863635 0.73 L3MBTL1 (0.46) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14863636 0.73 L3MBTL1 (0.46) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6256002 0.73 HDAC6 (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6803422 0.72 CTSS (0.52)
SCHEMBL6799200 0.71 MAPT (0.44) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28415204 0.69 ALDH1A1 (0.54) MMEACECPA1ACE2ALDH1A1
SCHEMBL28415203 0.69 ALDH1A1 (0.54) MMEACECPA1ACE2ALDH1A1
SCHEMBL6253853 0.69 FPR2 (0.48) PSMB5ALDH1A1MMP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP claimed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed
EP-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 EP disclosed
EP-1333829-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2003-08-13 EP disclosed
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP disclosed
WO-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed