SCHEMBL7627574

SCHEMBL7627574

[CH2]CC1(N2CCCC2=O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7628054 0.71 ALDH1A1 (0.35) BRD4BRD2ALDH1A1MEN1PKM
SCHEMBL7627573 0.69 BRD4 (0.39) BRD4BRD2ALDH1A1PIK3CD
SCHEMBL16771540 0.69 EHMT2 (0.38) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL26197005 0.69 ALDH1A1 (0.36) BRD4BRD2ALDH1A1
SCHEMBL8762738 0.68 ALDH1A1 (0.37) BRD4BRD2LMNAALDH1A1PIK3CD
SCHEMBL27497138 0.68 ALDH1A1 (0.37) BRD4BRD2LMNAALDH1A1PIK3CD
SCHEMBL2999035 0.68 BRD4 (0.41) BRD4BRD2LMNAALDH1A1PIK3CD
SCHEMBL4583515 0.68 BRD4 (0.37) BRD4BRD2LMNAALDH1A1PIK3CD
SCHEMBL5553820 0.68 RCE1 (0.45) LMNAALDH1A1MEN1KMT2A
SCHEMBL7627567 0.67 PIK3CD (0.42) LMNAALDH1A1PIK3CDTSHRMEN1

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
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed