SCHEMBL16675697

SCHEMBL16675697

C[C@@H]1CC[C@H](N2CCN(C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
KDM2B Q8NHM5 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL19936629 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EKDM2BALOX15TSHR
SCHEMBL27363758 0.93 KDM4E (0.35) ALDH1A1KDM4EKDM2BALOX15TSHR
SCHEMBL24204537 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EKDM2BALOX15TSHR
SCHEMBL14355437 0.91
SCHEMBL15089010 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1USP2
SCHEMBL15088721 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1USP2
SCHEMBL736095 0.86 KDM4E (0.47) ALDH1A1KDM4EKDM2BALOX15KMT2A
SCHEMBL1646548 0.86 KDM4E (0.47) ALDH1A1KDM4EKDM2BALOX15KMT2A
SCHEMBL736305 0.86 KDM4E (0.47) ALDH1A1KDM4EKDM2BALOX15KMT2A
SCHEMBL20080900 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1USP2

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed