SCHEMBL11208323

SCHEMBL11208323

CNCCC(C)C(=O)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
PBRM1 Q86U86 1/20 0.42
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 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
Hydrochloric Acid SCHEMBL11276213 0.99 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL11271082 0.86 PBRM1 (0.46) ADRB2ADRB1ADRB3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11264396 0.85 F2 (0.46) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL11208118 0.78 ALDH1A1 (0.52) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL12099223 0.76 PBRM1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL12163002 0.76 PBRM1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL12099224 0.76 PBRM1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL9254112 0.76 PBRM1 (0.55) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL27654141 0.74 SMN1; SMN2 (0.51) ALDH1A1KDM4EPBRM1NPC1LMNA
SCHEMBL9041395 0.74 PBRM1 (0.53) ADRB2ADRB1ADRB3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4322431-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed