SCHEMBL8556024

SCHEMBL8556024

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.35
▸ MAOB P27338 5/20 0.33
▸ MAOA P21397 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8551414 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
Hydrochloric Acid SCHEMBL8551426 0.87 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552242 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553041 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552889 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8550273 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8557775 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553401 0.82 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553406 0.82 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552916 0.82 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
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