SCHEMBL21781923

SCHEMBL21781923

CN(Cc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CCC=O)cc1)C(=O)C(Cc1ccccc1)NC=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 5/20 0.42
PTGER4 P35408 1/20 0.42
TACR1 P25103 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
C3AR1 Q16581 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL21782007 0.80 C3AR1 (0.37) QRFPRC3AR1
SCHEMBL21781895 0.77 SIRT2 (0.33) QRFPR
SCHEMBL22593910 0.74 TRPV1 (0.46) QRFPRSMN1; SMN2
SCHEMBL22561383 0.74 F7 (0.44) SMN1; SMN2
SCHEMBL21782008 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21782107 0.73 F7 (0.45) SMN1; SMN2
SCHEMBL22593891 0.73 TRPV1 (0.45)
SCHEMBL22593908 0.72 TRPV1 (0.46)
SCHEMBL21649652 0.72 SIRT1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24240408 0.70 SIRT2 (0.50)

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed