SCHEMBL8551414

SCHEMBL8551414

Cc1c(CCC(C)CN(C)C)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRL1 P41146 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
ACHE P22303 2/20 0.32
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8556024 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2POLBTDP1
Hydrochloric Acid SCHEMBL8551426 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552916 0.84 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553041 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552889 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8550273 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552242 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8557775 0.81 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553401 0.81 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553406 0.80 RAB9A (0.40) 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