SCHEMBL15549024

SCHEMBL15549024

CCn1nc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
FPR2 P25090 7/20 0.60
PROKR1 Q8TCW9 7/20 0.60
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL15548928 0.86 FPR2 (0.79) TSHRLMNAFPR2PROKR1ALDH1A1
SCHEMBL15549025 0.82 TSHR (0.59) TSHRLMNAFPR2PROKR1ALDH1A1
SCHEMBL15548819 0.79 FPR2 (0.83) TSHRLMNAFPR2PROKR1ALDH1A1
SCHEMBL31212435 0.75 EBP (0.70) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL31212431 0.75 EBP (0.70) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL15548779 0.75 FPR2 (1.00) FPR2PROKR1
SCHEMBL15549371 0.74 FPR2 (1.00) LMNAFPR2PROKR1KMT2A
SCHEMBL9737540 0.72 ALDH1A1 (0.75) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL14470092 0.72 MEN1 (0.81) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL3813872 0.72 MEN1 (0.75) TSHRLMNAALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855449-B1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2018-03-07 EP claimed
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP claimed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO claimed
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO disclosed