SCHEMBL22239612

SCHEMBL22239612

COC(=O)c1ccc2c(n1)N(C(=O)Nc1cnccn1)C1CCN2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FAAH O00519 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL17770236 1.00 KDM4E (0.37) KDM4EHTTHSD17B10FAAHMEN1
SCHEMBL17776937 0.91 RXFP1 (0.37) KDM4EFAAHMEN1KMT2ARXFP1
SCHEMBL22239604 0.90 FAAH (0.39) KDM4EFAAHKMT2ARXFP1TP53
SCHEMBL17769875 0.90 FAAH (0.39) KDM4EFAAHKMT2ARXFP1TP53
SCHEMBL19736459 0.88 CNR2 (0.36) KDM4EFAAH
SCHEMBL16754416 0.88 PRKD1 (0.36) KDM4EHTTHSD17B10FAAHMEN1
SCHEMBL17777041 0.88 MEN1 (0.39) KDM4EFAAHMEN1KMT2ATP53
SCHEMBL17770238 0.86 SMYD3 (0.37) FAAHKMT2A
SCHEMBL17770220 0.85 OPRK1 (0.39) CDK5CDK5R1
SCHEMBL17776945 0.85 OPRK1 (0.39) CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
Send feedback