SCHEMBL11545703

SCHEMBL11545703

NC(=O)c1ccc(OCCNCC(O)COc2ccccc2Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.45
ADRB3 P13945 6/20 0.44
ADRB2 P07550 2/20 0.44
GRK3 P35626 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 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
SCHEMBL11549703 0.89 ADRB2 (0.55) ADRB1ADRB3ADRB2GRK3MEN1
SCHEMBL11545627 0.88 KDM4E (0.53) ADRB1ADRB3ADRB2GRK3MEN1
SCHEMBL11545309 0.85 ADRB1 (0.58) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11543785 0.85 ADRB2 (0.56) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11549323 0.85 KDM4E (0.49) ADRB1ADRB3ADRB2GRK3KMT2A
SCHEMBL11546599 0.85 ADRB2 (0.47) ADRB1ADRB3ADRB2GRK3MEN1
SCHEMBL7410486 0.82 ADRB2 (0.54) ADRB1ADRB3ADRB2GRK3KMT2A
SCHEMBL11546769 0.81 ADRB3 (0.51) ADRB1ADRB3ADRB2
SCHEMBL11545485 0.80 ADRB2 (0.51) ADRB1ADRB3ADRB2GRK3MEN1
SCHEMBL10744537 0.79 KMT2A (0.46) ADRB1ADRB3ADRB2GRK3MEN1

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-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US claimed
US-4165384-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS AKTIEBOLAGET HASSLE (SE) 1979-08-21 US disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed