SCHEMBL2337744

SCHEMBL2337744

Cc1nn(C)cc1S(=O)(=O)N(C)CCN1CCN(c2nccnc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.37
NMT1 P30419 4/20 0.36
POLB P06746 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
SIGMAR1 Q99720 2/20 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
SCHEMBL12156840 0.81 PIK3CD (0.44) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL13920851 0.81 MEN1 (0.37) MEN1KMT2AALDH1A1GAANMT1
SCHEMBL12156842 0.81 MEN1 (0.37) MEN1KMT2AALDH1A1GAANMT1
SCHEMBL2331440 0.81 SIGMAR1 (0.39) NMT1SIGMAR1
Hydrochloric Acid SCHEMBL2338785 0.81 MEN1 (0.37) MEN1KMT2AALDH1A1GAANMT1
Hydrochloric Acid SCHEMBL2332832 0.81 PIK3CD (0.44) MEN1KMT2AALDH1A1
SCHEMBL12156838 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1GAANMT1
Hydrochloric Acid SCHEMBL2339252 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1GAANMT1
SCHEMBL12156839 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1GAANMT1
SCHEMBL2332852 0.79 SIGMAR1 (0.46) SIGMAR1

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
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed