SCHEMBL9649808

SCHEMBL9649808

CC(C)(C)NC(=O)C(O)c1ccc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
PTGS1 P23219 2/20 0.35
EIF2S1 P05198 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
ACKR3 P25106 1/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL17273620 0.81 RAB9A (0.41) KDM4ERAB9AALDH1A1NPC1TP53
SCHEMBL10360151 0.80 ALDH1A1 (0.37) ADRB2ADRB1ADRB3PTGS1ACKR3
SCHEMBL22556882 0.78 ADRA2A (0.41) PTGS1KDM4ERAB9ACA12CA1
SCHEMBL9649660 0.73 MAPK1 (0.33) ADRB2ADRB1ADRB3KDM4EPOLB
SCHEMBL10361058 0.72 LMNA (0.50) ADRB2ADRB1ADRB3KDM4ECASP7
SCHEMBL9649692 0.72 EIF2AK3 (0.41) EIF2S1EIF2AK3ALOX5APFEN1KDM4E
SCHEMBL22556951 0.70 ADRA2A (0.39) KDM4ERAB9APOLBCA12CA1
SCHEMBL9648708 0.70 LMNA (0.39) ADRB2ADRB1KDM4EPOLBCA1
SCHEMBL20686287 0.69 KDM4E (0.37) KDM4ERAB9APOLBCA12CA1
SCHEMBL10361056 0.69 ADRB2 (0.39) ADRB2ADRB1KDM4ERAB9APOLB

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-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed