SCHEMBL7316265

SCHEMBL7316265

NC(C=O)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.51
FFAR1 O14842 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
CYP2A6 P11509 1/20 0.50
IMPDH2 P12268 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL29611508 0.82 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL9060404 0.82 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL11805598 0.81 GPR84 (0.55) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6668005 0.81 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27640048 0.80 GPR84 (0.54) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29951612 0.79 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL13767828 0.79 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1333393 0.79 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10069423 0.77 GPR84 (0.46) GPR84HTR2AMEN1KMT2ASLC6A4
SCHEMBL1296387 0.76 GPR84 (0.53) GPR84FFAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719199-A VASORPRESSIN ANTAGONIST SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
US-4719199-A VASORPRESSIN ANTAGONIST SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
US-4684716-A VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-08-04 US disclosed
US-4684716-A VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-08-04 US disclosed
US-4597901-A POLYPEPTIDES, DIURESIS SMITHKLINE BECKMAN CORPORATION (US) 1986-07-01 US disclosed
US-4597901-A POLYPEPTIDES, DIURESIS SMITHKLINE BECKMAN CORPORATION (US) 1986-07-01 US disclosed