SCHEMBL3380067

SCHEMBL3380067

Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.39
PROKR1 Q8TCW9 16/20 0.39
NMT1 P30419 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3381234 0.94 FPR2 (0.39) FPR2PROKR1NMT1ALDH1A1
SCHEMBL3376186 0.86 TSHR (0.36) ALDH1A1LMNANPSR1
SCHEMBL3377307 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3378561 0.84 FPR2 (0.49) FPR2PROKR1
SCHEMBL3377172 0.83 FPR2 (0.46) FPR2PROKR1ALDH1A1GAA
SCHEMBL3376674 0.83 CXCR4 (0.41) ALDH1A1GAALMNA
SCHEMBL3380056 0.83 CXCR4 (0.45) ALDH1A1
SCHEMBL3380637 0.82 ACKR3 (0.35) ALDH1A1
SCHEMBL3376045 0.82 KDM4E (0.41) ALDH1A1
SCHEMBL3379302 0.82 CXCR4 (0.42) ALDH1A1NPSR1

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed