SCHEMBL8556079

SCHEMBL8556079

OCCCc1cccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.41
KCNH2 Q12809 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 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
SCHEMBL8556385 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553989 0.84 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551977 0.81 RAB9A (0.49) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8554128 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7687482 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7690279 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7689804 0.78 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555586 0.77 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556128 0.76 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7691214 0.75 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBTDP1

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
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed