SCHEMBL7500901

SCHEMBL7500901

O=S(=O)(c1ccc2ncccc2c1)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
KCNH2 Q12809 1/20 0.51
CHRM5 P08912 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GBA1 P04062 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL7026165 0.80 KCNH2 (0.69) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL7027668 0.79 FABP1 (0.65) HTR2AHTR2CPKMMAPT
SCHEMBL6251264 0.77 PRKAA2 (0.56) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL7024144 0.77 KCNH2 (0.53) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL7027186 0.75 KMT2A (0.68) MEN1KMT2APKMKDM4ELMNA
SCHEMBL7024946 0.74 KCNH2 (0.53) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL31454317 0.74 KCNH2 (0.55) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL7501576 0.74 KCNH2 (0.49) HTR2AHTR2CKCNH2HTR1AHTR7
SCHEMBL16087283 0.74 L3MBTL1 (0.63) MEN1KMT2APKMMAPTLMNA
SCHEMBL7551148 0.72 HTR2A (0.57) HTR2AHTR2CKCNH2CHRM5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP claimed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO claimed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO disclosed