SCHEMBL8640865

SCHEMBL8640865

CCN(Oc1ccc(Cc2ccccc2)cc1)C(=O)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.50
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
LTA4H P09960 9/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAP2K1 Q02750 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8637391 0.74 LTA4H (0.49) HRH1ALDH1A1LTA4HCYP1A2CYP2D6
SCHEMBL8791707 0.73 MEN1 (0.61) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL8639520 0.71 HRH1 (0.47) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8637767 0.71 ALDH1A1 (0.47) HRH1ALDH1A1SMN1; SMN2LTA4H
SCHEMBL8773746 0.70 LTA4H (0.54) HRH1ALDH1A1LTA4HKDM4EMEN1
SCHEMBL8637335 0.70 LTA4H (0.56) HRH1ALDH1A1LTA4HKDM4EMEN1
SCHEMBL3560864 0.70 POLB (0.61) SMN1; SMN2HTTKDM4EMEN1TSHR
SCHEMBL8637394 0.70 LTA4H (0.52) LTA4HKDM4EMEN1LMNAALOX15
SCHEMBL5889435 0.69 MEN1 (0.69) ALDH1A1SMN1; SMN2SLC6A2SLC6A4HTT
SCHEMBL8639322 0.69 SMN1; SMN2 (0.62) HRH1ALDH1A1SMN1; SMN2LTA4HKDM4E

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed