SCHEMBL6989805

SCHEMBL6989805

NC(=O)CCC(c1ccccn1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
KCNA5 P22460 3/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
KCNE1 P15382 1/20 0.37

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
SCHEMBL30982183 0.79 KMT2A (0.63) KMT2AMEN1KDM4EPKMLMNA
SCHEMBL8599511 0.79 KCNA5 (0.44) KMT2AMEN1SMN1; SMN2KDM4EPKM
SCHEMBL8598551 0.79 KCNA5 (0.44) KMT2AMEN1SMN1; SMN2KDM4EPKM
SCHEMBL8004235 0.79 KCNA5 (0.44) KMT2AMEN1SMN1; SMN2KDM4EPKM
SCHEMBL6370490 0.76 KCNA5 (0.44) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL22961730 0.76 KCNA5 (0.44) KMT2AMEN1NPC1KDM4EPKM
SCHEMBL11031910 0.75 CYP2C19 (0.41) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL17064526 0.75 SLC6A2 (0.39) KDM4EKCNA5ALDH1A1KCNE1
SCHEMBL9843699 0.75 KCNA5 (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL30982192 0.75 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AKDM4E

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-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 EP disclosed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed