SCHEMBL25816688

SCHEMBL25816688

CC1CC(C(=O)NCCCN(C)CCCNC(=O)C2CC(C)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HTR2B P41595 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
SCHEMBL19738858 0.80 CHRNB2 (0.44) LMNAKMT2AMEN1NAAACHRNB2
SCHEMBL18923763 0.76 CHRNB2 (0.62) KMT2AMEN1NAAACHRNB2CHRNB4
SCHEMBL13981181 0.75 LMNA (0.46) LMNAKMT2AMEN1NAAAGNAI3
SCHEMBL23975248 0.72 NAAA (0.54) LMNAKMT2AMEN1NAAACYP2D6
SCHEMBL23975371 0.72 NAAA (0.54) LMNAKMT2AMEN1NAAACYP2D6
SCHEMBL19905660 0.71 CHRNB2 (0.43) KMT2ANAAACHRNB2CHRNB4CHRNA3
SCHEMBL6809163 0.70 CHRNB2 (0.40) KMT2AMEN1NAAACHRNB2CHRNB4
SCHEMBL6271562 0.70 CHRNB2 (0.40) KMT2AMEN1NAAACHRNB2CHRNB4
SCHEMBL27339475 0.70 NAAA (0.55) LMNANAAACHRNB2CHRNB4CHRNA3
SCHEMBL27339488 0.70 NAAA (0.55) LMNANAAACHRNB2CHRNB4CHRNA3

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
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 — — WO disclosed
Send feedback