SCHEMBL3482920

SCHEMBL3482920

Fc1ccc(N2[CH]CNCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR1A P08908 3/20 0.36
SLC6A3 Q01959 2/20 0.36
KDR P35968 1/20 0.35
KCNH2 Q12809 1/20 0.34
HTR7 P34969 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 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
SCHEMBL2414713 0.79 HTR1A (0.39) HTR2BSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4094720 0.75 HTR7 (0.39) HTR2BSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29557426 0.75 KDR (0.53) HTR2CHTR2BSLC6A2SLC6A4HTR1A
SCHEMBL233938 0.75 KDR (0.53) HTR2CHTR2BSLC6A2SLC6A4HTR1A
Hydrochloric Acid SCHEMBL4331979 0.74 KDR (0.51) HTR2CHTR2BSLC6A2SLC6A4HTR1A
Hydrochloric Acid SCHEMBL29883289 0.74 KDR (0.51) HTR2CHTR2BSLC6A2SLC6A4HTR1A
Hydrochloric Acid SCHEMBL5987897 0.74 KDR (0.51) HTR2CHTR2BSLC6A2SLC6A4HTR1A
SCHEMBL28181345 0.72 KDR (0.43) HTR2CHTR2BSLC6A2SLC6A4HTR1A
SCHEMBL5805268 0.72 HTR2C (0.37) HTR2CHTR2BSLC6A2HTR1ASLC6A3
SCHEMBL2847536 0.70 HTR1A (0.52) HTR2CHTR2BSLC6A2SLC6A4HTR1A

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
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed