SCHEMBL2359786

SCHEMBL2359786

CCN[C@@H]1CCc2[nH]c3ccc(C(=O)NO)cc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.60
HTR1B P28222 3/20 0.60
HTR1D P28221 1/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
DRD2 P14416 2/20 0.56
DRD4 P21917 1/20 0.56
HTR1E P28566 1/20 0.56
HTR7 P34969 1/20 0.56
OPRM1 P35372 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7743816 1.00 HTR1A (0.60) HTR1AHTR1BHTR1DALDH1A1LMNA
SCHEMBL9265318 1.00 HTR1A (0.60) HTR1AHTR1BHTR1DALDH1A1LMNA
Hydrochloric Acid SCHEMBL9263041 0.99 HTR1A (0.59) HTR1AHTR1BHTR1DALDH1A1LMNA
Oxalic Acid SCHEMBL9336277 0.97 HTR1A (0.57) HTR1AHTR1BHTR1DALDH1A1LMNA
Succinic Acid SCHEMBL9263306 0.95 HTR1A (0.64) HTR1AHTR1BHTR1DALDH1A1LMNA
SCHEMBL9336316 0.92 HTR1A (0.58) HTR1AHTR1BHTR1DALDH1A1LMNA
SCHEMBL6952624 0.90 HTR1A (0.59) HTR1AHTR1BHTR1DALDH1A1LMNA
SCHEMBL7657721 0.89 HTR1A (0.62) HTR1AHTR1BHTR1DALDH1A1LMNA
Oxalic Acid SCHEMBL9334144 0.89 HTR1A (0.56) HTR1AHTR1BHTR1DALDH1A1LMNA
SCHEMBL8018884 0.88 HTR1A (0.78) HTR1AHTR1BHTR1DALDH1A1LMNA

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
WO-2011095803-A1 HPLC METHOD FOR ANALYZING FROVATRIPTAN GENERICS [UK] LIMITED (GB) 2011-08-11 WO disclosed