SCHEMBL9518561

SCHEMBL9518561

CN(C)CCCCC(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.64
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL27573148 0.83 DAGLA (0.76) DAGLABCHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL10462915 0.78 DAGLA (0.63) DAGLARAB9ASMN1; SMN2LMNANPC1
SCHEMBL10464100 0.78 DAGLA (0.64) DAGLAALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL2084348 0.78 DAGLA (0.51) DAGLABCHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL19012167 0.77 SPHK2 (0.76) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL3962735 0.77 DAGLA (1.00) DAGLAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL30831206 0.76 SMN1; SMN2 (0.61) DAGLARAB9ASMN1; SMN2LMNANPC1
SCHEMBL1901781 0.76 SMN1; SMN2 (0.61) DAGLARAB9ASMN1; SMN2LMNANPC1
SCHEMBL30069034 0.76 ALDH1A1 (0.65) BCHEACHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL22717353 0.75 DAGLA (0.56) DAGLABCHERAB9ASMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US disclosed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 EP disclosed