SCHEMBL6856367

SCHEMBL6856367

CNCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N(C)C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.38
FOLH1 Q04609 7/20 0.36
CPB2 Q96IY4 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
RRM1 P23921 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL97745 0.90 CPB2 (0.41) KISS1RFOLH1CPB2KDM4AKDM4C
SCHEMBL546909 0.83 GSR (0.42) KISS1RFOLH1CPB2GNAI3GNAO1
SCHEMBL4836560 0.78 SLC1A1 (0.42) KISS1R
SCHEMBL16326302 0.77 KISS1R (0.36) KISS1RCPB2KDM4AKDM4C
SCHEMBL25911366 0.77 KISS1R (0.37) KISS1RUSP2TSHR
SCHEMBL29315304 0.77 USP2 (0.44) KISS1RDPP7ALDH1A2ALDH1A1ALDH2
SCHEMBL29313570 0.77 USP2 (0.44) KISS1RDPP7ALDH1A2ALDH1A1ALDH2
SCHEMBL24642318 0.76 FOLH1 (0.35) FOLH1
SCHEMBL24642323 0.76 FOLH1 (0.35) FOLH1
SCHEMBL1697811 0.76 ALOX15 (0.38) FOLH1DPP7GNAI3GNAO1GNAI1

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
US-6797808-B1 FOUND NATURALLY IN VENOM OF THE CONE SNAILS; HAVE SPECIFICITY FOR NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS; FOR TREATING CARDIOVASCULAR, GASTRIC MOTILITY, AND MOOD DISORDERS, URINARY INCONTINENCE, NICOTINE ADDICTION, AND SMALL CELL LUNG CANCER UNIVERSITY OF UTAH RESEARCH FOUNDATION 2004-09-28 US disclosed