SCHEMBL8385928

SCHEMBL8385928

C=CCOC(=O)c1cccc(NC(=O)c2cccc(CCN)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL8129745 0.86 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL27532891 0.81 KMT2A (0.51) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL6651845 0.78 CYP4F2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6676119 0.76 CYP4F2 (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL22067604 0.76 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL5098387 0.75 CYP3A4 (0.49) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL6660186 0.75 CYP3A4 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4564017 0.75 CYP3A4 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27362136 0.75 CYP3A4 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL157805 0.74 CYP3A4 (0.61) RAB9ANPC1MAPK1ALDH1A1LMNA

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-5939437-A AMIDE COMPOUNDS AS NEUROPEPTIDES AS APPETITE REGULATORS, ANXIOLYTIC ACTIVITY AND ANTICARCINOGENIC AGENTS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-17 — — US disclosed
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