SCHEMBL8613749

SCHEMBL8613749

CC(C)c1cccc(C(C)C)c1NC(=O)NCC1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.45
SOAT1 P35610 3/20 0.41
CCR5 P51681 2/20 0.38
TBXA2R P21731 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL8620559 0.90 LPAR1 (0.44) LPAR1SOAT1TBXAS1
SCHEMBL9330173 0.89 SOAT1 (0.46) SOAT1
SCHEMBL8615128 0.87 LPAR1 (0.48) LPAR1SOAT1
SCHEMBL8615719 0.85 TBXAS1 (0.41) CCR5TBXA2RTBXAS1
SCHEMBL8618222 0.84 SOAT1 (0.40) LPAR1SOAT1
Hydrochloric Acid SCHEMBL8619453 0.84 SOAT1 (0.39) LPAR1SOAT1
SCHEMBL8797482 0.83 LPAR1 (0.45) LPAR1SOAT1TBXA2R
SCHEMBL8616314 0.83 TBXA2R (0.39) TBXA2RTBXAS1
SCHEMBL8618649 0.82 SOAT1 (0.39) LPAR1SOAT1
SCHEMBL8618759 0.82 TBXA2R (0.40) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP claimed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP claimed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed