SCHEMBL21205751

SCHEMBL21205751

CC1Cc2cnc(Cl)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.49
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRM5 P41594 1/20 0.32
PRMT5 O14744 1/20 0.30

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
SCHEMBL22226810 0.86 ACHE (0.47) ACHECHRNB2CHRNA4GRM5
SCHEMBL31619906 0.74 ACHE (0.58) ACHE
SCHEMBL6936371 0.70 ACHE (0.54) ACHE
SCHEMBL424868 0.70 ELANE (0.38) XIAPBIRC2CHRNB2CHRNA4
SCHEMBL13957818 0.70 CYP19A1 (0.30) XIAPBIRC2CHRNB2CHRNA4
SCHEMBL31529876 0.70 ELANE (0.38) XIAPBIRC2CHRNB2CHRNA4
SCHEMBL11663934 0.69 ACHE (0.51) ACHE
SCHEMBL21205776 0.68 CHRNB2 (0.40) XIAPBIRC2CHRNB2CHRNA4GRM5
SCHEMBL8091521 0.68 ACHE (0.69) ACHE
SCHEMBL20692255 0.68 ACHE (0.59) ACHE

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-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed