SCHEMBL8901044

SCHEMBL8901044

O=C(O)c1c(C(c2ccccc2)c2ccc(OCCCl)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.41
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 3/20 0.36
GPR88 Q9GZN0 4/20 0.36
PLA2G2A P14555 2/20 0.35
HRH1 P35367 2/20 0.35
HRH2 P25021 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL8477090 0.95 NPY1R (0.40) NPY1RMAPK1KDM4EALDH1A1LMNA
SCHEMBL8475897 0.91 NPY1R (0.38) NPY1RMAPK1KDM4EALDH1A1LMNA
SCHEMBL8472003 0.90 HTR2C (0.43) NPY1RKDM4EALDH1A1LMNAHTT
SCHEMBL8472629 0.89 CACNA2D1 (0.40) NPY1RMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8473410 0.86 MAPK1 (0.43) NPY1RMAPK1KDM4EALDH1A1LMNA
SCHEMBL8474562 0.85 MAPK1 (0.38) NPY1RMAPK1KDM4EALDH1A1LMNA
SCHEMBL8475983 0.85 LTA4H (0.50) MAPK1KDM4EALDH1A1LMNATP53
SCHEMBL8475106 0.85 HTR6 (0.41) MAPK1KDM4EALDH1A1LMNATP53
SCHEMBL8472268 0.84 MAPK1 (0.38) NPY1RMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8477348 0.84 GPR88 (0.41) NPY1RMAPK1LMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663039-A AT LEAST A PORTION OF THE SURFACE IS COVERED WITH AN ADDITIVE SELECTED FROM THE GROUP CONSISTING OF A SULFITE, A HYDROXYLAMINE OR A BENZOIC OR SULFONIC ACID COMPOUND KONICA CORPORATION (JP) 1997-09-02 US disclosed