SCHEMBL8917616

SCHEMBL8917616

CN1CCN(CCOc2ccc(C3(C)C(Cl)(Cl)C3(C)c3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.60
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
DRD2 P14416 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TP53 P04637 1/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8915699 0.90 LTA4H (0.58) LTA4HMEN1KMT2AHRH3ESR1
SCHEMBL8916605 0.81 LTA4H (0.56) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8917765 0.81 LTA4H (0.56) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL12406933 0.80 LTA4H (0.77) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL8845640 0.77 LTA4H (0.60) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL76551 0.74 LTA4H (0.69) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL8915871 0.74 LTA4H (0.58) LTA4HNPC1RAB9ADRD2MEN1
SCHEMBL11875699 0.74 LTA4H (0.68) LTA4HNPC1RAB9ADRD3HRH3
SCHEMBL19717966 0.73 LTA4H (0.55) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL10191921 0.73 LTA4H (0.65) LTA4HNPC1RAB9AMEN1KMT2A

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