SCHEMBL6986741

SCHEMBL6986741

CCCN(CCN1CCCCC1=O)CC(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ABCB11 O95342 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 1/20 0.35

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
SCHEMBL6986746 0.83 SMN1; SMN2 (0.41) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6984357 0.82 ALDH1A1 (0.43) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6986641 0.81 EPHX2 (0.38) ALDH1A1TSHRNPSR1
SCHEMBL6983282 0.80 LMNA (0.45) MEN1KMT2ANPC1LMNATSHR
SCHEMBL4875374 0.78 MTNR1A (0.45) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6980148 0.77 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1NPC1RECQL
SCHEMBL6981458 0.77 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1NPC1RECQL
SCHEMBL6983790 0.74 KMT2A (0.39) MEN1KMT2AALDH1A1CYP2C9KDM4E
SCHEMBL6982527 0.74 NPC1 (0.41) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL7135238 0.73 ADRA1B (0.44) MEN1KMT2AALDH1A1RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed