SCHEMBL6619280

SCHEMBL6619280

N#Cc1ccc(NC(=O)CCN2CC3CC(C2)CN(C(=O)O)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.43
KCNA5 P22460 3/20 0.42
RORC P51449 3/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 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
SCHEMBL7949159 0.86 KMT2A (0.57) PKMALDH1A1POLBGAALMNA
SCHEMBL6621851 0.84 CETP (0.44) PGREPHX2KCNA5RORCNAMPT
SCHEMBL6623202 0.83 CCR3 (0.42) PGREPHX2NAMPTALDH1A1KMT2A
SCHEMBL6742058 0.82 NAMPT (0.56) PGREPHX2NAMPT
SCHEMBL7948923 0.80 KCNH2 (0.52)
SCHEMBL6618631 0.77 CA12 (0.41) EPHX2ALDH1A1KMT2A
SCHEMBL7957186 0.77 HTR1A (0.47) NAMPT
SCHEMBL6620971 0.76 HRH1 (0.41) ALDH1A1GAALMNA
SCHEMBL6743525 0.75 CCR2 (0.44) PGREPHX2NAMPT
SCHEMBL6621505 0.74 KCNA5 (0.48) KCNA5ALDH1A1SMN1; SMN2

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-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed