SCHEMBL9706009

SCHEMBL9706009

CCC(C)NC(C)(O)c1ccc(N)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ACACB O00763 1/20 0.35
AR P10275 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORC P51449 1/20 0.30

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
SCHEMBL9706060 0.79 ADRB2 (0.40) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL27268822 0.74 AR (0.41) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL165967 0.71 ALDH1A1 (0.47) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL27271136 0.69 ADRB2 (0.40) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL10420798 0.68 ADRB2 (0.78) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL27566692 0.65 CYP1A2 (0.36) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL29646422 0.65 ALOX5AP (0.44) TSHRMAPK1ARMEN1KMT2A
SCHEMBL165877 0.65 ALOX5AP (0.44) TSHRMAPK1ARMEN1KMT2A
Hydrochloric Acid SCHEMBL5167996 0.64 ADRB2 (0.65) ADRB2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL11592825 0.63 CYP1A2 (0.36) ADRB2CYP1A2CYP3A4TSHRMAPK1

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-0225165-B1 USE OF PHENETHANOL AMINES TO IMPROVE FAT CONTENT OF SOWS' MILK ELI LILLY AND COMPANY (US) 1992-08-26 EP disclosed
EP-0225165-A2 Use of phenethanol amines to improve fat content of sows' milk ELI LILLY AND COMPANY (US) 1987-06-10 EP disclosed