SCHEMBL6926469

SCHEMBL6926469

COC(=O)Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCN(c3ccccc3OC)CC2)c2cc(Cl)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
LMNA P02545 1/20 0.56

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
Hydrochloric Acid SCHEMBL6923631 0.92 TACR1 (0.85) TACR1LMNA
SCHEMBL6928003 0.90 TACR1 (1.00) TACR1
SCHEMBL7571859 0.88 TACR1 (1.00) TACR1
SCHEMBL6925242 0.82 TACR1 (1.00) TACR1
SCHEMBL6922478 0.80 TACR1 (1.00) TACR1
SCHEMBL6926943 0.78 TACR1 (0.82) TACR1
SCHEMBL6926601 0.75 TACR1 (1.00) TACR1
SCHEMBL7668094 0.74 TACR1 (0.63) TACR1LMNA
SCHEMBL6929085 0.71 TACR1 (0.59) TACR1
SCHEMBL6928547 0.71 TACR1 (0.82) TACR1

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
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 WO disclosed