SCHEMBL6974917

SCHEMBL6974917

CCC(C)(Cc1ccc(OCC(C)C)cc1)NCCN1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ACACB O00763 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 1/20 0.36
TRIM24 O15164 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL6976795 0.86 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6984711 0.82 RAB9A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6171559 0.74 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1RAB9ATSHR
SCHEMBL19353009 0.74 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6984916 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1RAB9ATSHR
SCHEMBL6985419 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1RAB9ATSHR
SCHEMBL4876123 0.71 ACACB (0.41) KMT2AMEN1SMN1; SMN2ACACBALDH1A1
SCHEMBL6982440 0.71 PDK1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL23219754 0.66 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5098402 0.66 KMT2A (0.62) KMT2AMEN1SMN1; SMN2ACACBRAB9A

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