SCHEMBL15530591

SCHEMBL15530591

COc1ccccc1C(=O)NCc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 12/20 0.72
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 3/20 0.59
HPGD P15428 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 1/20 0.55
P2RX1 P51575 1/20 0.55

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
SCHEMBL5491795 0.89 RXFP1 (0.88) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15528928 0.84 RXFP1 (1.00) RXFP1
SCHEMBL15528441 0.84 RXFP1 (0.79) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15528979 0.83 RXFP1 (0.78) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15528871 0.82 RXFP1 (1.00) RXFP1
SCHEMBL15529586 0.79 RXFP1 (0.90) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL17664206 0.78 RXFP1 (0.74) RXFP1KCNK3KCNK9MAPT
SCHEMBL15529016 0.78 RXFP1 (1.00) RXFP1
SCHEMBL2699662 0.78 RXFP1 (0.69) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL3768908 0.78 MAPT (0.72) RXFP1KCNK3KCNK9HPGDMAPT

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-2844345-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 The United States of America, as Represented by The Secretary, Department of Health and Human Services (US) 2015-03-11 EP disclosed
WO-2013165606-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-11-07 WO disclosed