SCHEMBL4739017

SCHEMBL4739017

C#CN(C)C(C)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.43
MAOA P21397 6/20 0.43
CYP1A2 P05177 4/20 0.42
TSHR P16473 4/20 0.42
CYP2D6 P10635 3/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRK1 P41145 2/20 0.42
ADRA2A P08913 1/20 0.42
SNCA P37840 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
PYCR1 P32322 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL10782592 0.80 TSHR (0.44) MAOACYP1A2TSHRCYP2D6ADRA2B
SCHEMBL20028832 0.77 SLC1A3 (0.46) MAOBCYP1A2TSHRCYP2D6MAPK1
SCHEMBL27705296 0.75 ADRA2B (0.42) MAOBMAOACYP1A2TSHRCYP2D6
SCHEMBL11675406 0.75 TSHR (0.40) CYP1A2TSHRCYP2D6ADRA2BADRA2C
SCHEMBL28499565 0.74 MAOB (0.43) MAOBMAOACYP1A2TSHRCYP2D6
SCHEMBL28499564 0.74 MAOB (0.43) MAOBMAOACYP1A2TSHRCYP2D6
SCHEMBL31059752 0.74 MAOB (0.43) MAOBMAOACYP1A2TSHRCYP2D6
SCHEMBL4505788 0.74 RCE1 (0.39) CYP1A2TSHRCYP2D6ADRA2BADRA2C
SCHEMBL8614055 0.73 BCHE (0.46) CYP1A2TSHRCYP2D6ADRA2BADRA2A
SCHEMBL11465303 0.73 TSHR (0.43) CYP1A2TSHRCYP2D6ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed