SCHEMBL7850073

SCHEMBL7850073

Cc1ccc(-c2c(C(=O)N(C)Cc3cccc(C(F)(F)F)c3)n(C)c(=O)c3ncccc23)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.87
CENPE Q02224 1/20 0.53

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
7-Methyl-8-Oxo-5-P-Tolyl-7,8-Dihydro-[1,7]Naphthyridine-6-Carboxylic Acid (3,5-Bis-Trifluoromethyl-Benzyl)-Methyl-Amide (Structural Mix) SCHEMBL7850311 0.93 TACR1 (1.00) TACR1CENPE
SCHEMBL7851580 0.91 TACR1 (0.85) TACR1CENPE
SCHEMBL7841636 0.86 TACR1 (1.00) TACR1CENPE
SCHEMBL7841677 0.86 TACR1 (1.00) TACR1CENPE
SCHEMBL7855109 0.86 TACR1 (1.00) TACR1CENPE
SCHEMBL7851451 0.85 TACR1 (0.84) TACR1CENPE
SCHEMBL7851529 0.85 TACR1 (0.87) TACR1CENPE
SCHEMBL7851758 0.84 TACR1 (1.00) TACR1CENPE
SCHEMBL7841614 0.84 TACR1 (0.83) TACR1CENPE
SCHEMBL7852919 0.83 TACR1 (0.75) TACR1CENPE

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-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed