SCHEMBL21264065

SCHEMBL21264065

CCOC(=O)c1cc(-c2ccc(C3CCN(C(=O)C(C)(C)CCOC(C)C)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.63
P2RY14 Q15391 18/20 0.60
DRD5 P21918 4/20 0.58
DRD1 P21728 3/20 0.58
DRD3 P35462 3/20 0.58
ADRB3 P13945 3/20 0.58
ADRA2C P18825 2/20 0.58
HTR1D P28221 2/20 0.58
HTR5A P47898 2/20 0.58
HTR1E P28566 1/20 0.58
TSPO P30536 1/20 0.58
ADRA1A P35348 1/20 0.58
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 3/20 0.52
ADRA2A P08913 2/20 0.52
ADRA1B P35368 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
HTR1A P08908 2/20 0.51
SLC6A2 P23975 2/20 0.51
AGTR1 P30556 2/20 0.51

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
SCHEMBL3751405 0.86 TMEM97 (0.73) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL2934966 0.84 P2RY14 (0.81) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL30195542 0.84 P2RY14 (0.81) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL22996142 0.84 TMEM97 (0.65) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL21247893 0.84 P2RY14 (0.77) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL21247964 0.82 P2RY14 (0.81) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL2935177 0.81 P2RY14 (0.75) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL21248482 0.81 P2RY14 (0.84) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL2932405 0.80 TMEM97 (0.65) TMEM97P2RY14DRD5DRD1DRD3
SCHEMBL21248047 0.80 P2RY14 (0.79) TMEM97P2RY14DRD5DRD1DRD3

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
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 WO disclosed