SCHEMBL8916605

SCHEMBL8916605

CN1CCN(CCOc2ccc(C3(C)C(c4ccccc4)C3(Cl)Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.56
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DRD2 P14416 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ESR1 P03372 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8917765 0.95 LTA4H (0.56) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8915859 0.91 LTA4H (0.54) LTA4HMEN1KMT2AKDM4EESR1
SCHEMBL8916661 0.86 LTA4H (0.54) LTA4HMEN1KMT2AKDM4EESR1
SCHEMBL8917616 0.81 LTA4H (0.60) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8845640 0.81 LTA4H (0.60) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL12406933 0.77 LTA4H (0.77) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8918082 0.77 LTA4H (0.55) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8916213 0.74 CYP2D6 (0.53) LTA4HMEN1KMT2AKDM4EESR1
SCHEMBL8915518 0.72 LTA4H (0.55) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8915699 0.72 LTA4H (0.58) LTA4HMEN1KMT2AESR1HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658951-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed