SCHEMBL9360727

SCHEMBL9360727

COc1ccc(CC(C)NCC(O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CTSV O60911 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ ADRB3 P13945 3/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ ADRB2 P07550 9/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP6 P55212 1/20 0.44

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
SCHEMBL7051037 0.91 ADRB2 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7051039 0.91 ADRB2 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL10661432 0.89 ADRB2 (0.49) MEN1KMT2ACTSVCTSLADRB3
SCHEMBL9360806 0.85 ADRB2 (0.53) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL3628731 0.81 KMT2A (0.46) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL7149471 0.80 ADRA1D (0.51) KMT2AADRB3ADRB1ABCB1ADRB2
SCHEMBL7149467 0.80 ADRA1D (0.51) KMT2AADRB3ADRB1ABCB1ADRB2
SCHEMBL11083174 0.80 ADRA1D (0.51) KMT2AADRB3ADRB1ABCB1ADRB2
SCHEMBL7150543 0.79 ADRB1 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7150621 0.79 ADRB2 (0.62) ADRB3ADRB1ADRB2CASP3CASP6

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-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 — — EP disclosed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 — — EP disclosed
Send feedback