SCHEMBL3958698

SCHEMBL3958698

NC(=O)N1CCNCC1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
SIGMAR1 Q99720 1/20 0.39
HTR6 P50406 5/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KAT6A Q92794 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6744243 0.89 CA1 (0.44) CA1CA2CA4CA9SIGMAR1
SCHEMBL8678902 0.80 CA1 (0.50) CA1CA2CA4CA9KMT2A
SCHEMBL2253695 0.80 NR1H2 (0.44) CA1CA2CA4CA9
SCHEMBL28061774 0.80 HTR6 (0.42) CA1CA2CA4CA9SIGMAR1
Fluoride SCHEMBL28061775 0.78 HTR6 (0.41) CA1CA2CA4CA9SIGMAR1
SCHEMBL30597535 0.77 ALDH1A1 (0.48) CA1CA2CA9SIGMAR1ALDH1A1
SCHEMBL3902529 0.77 CA1 (0.44) CA1CA2CA4CA9SIGMAR1
SCHEMBL30407459 0.77 CHRM2 (0.43) HTR6CHRM2CHRM1KAT6AALDH1A1
SCHEMBL29060773 0.76 CA1 (0.38) CA1CA2CA4CA9CHRM2
SCHEMBL5636647 0.76 MEN1 (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2

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-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed