SCHEMBL6958771

SCHEMBL6958771

CCCNC1CCc2[nH]c3ccc(C(=O)Nc4cnco4)cc3c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
DRD2 P14416 2/20 0.50
HTR1B P28222 3/20 0.49
HTR1D P28221 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
DRD4 P21917 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
OPRM1 P35372 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTR1F P30939 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL7971643 0.91 HTR1A (0.43) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6960098 0.84 ALDH1A1 (0.51) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL9336316 0.83 HTR1A (0.58) HTR1ADRD2HTR1BHTR1DALDH1A1
Oxalic Acid SCHEMBL9334144 0.81 HTR1A (0.56) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6965193 0.81 HTR1A (0.56) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6958794 0.81 HTR1A (0.48) HTR1ADRD2HTR1BHTR1DALDH1A1
Hydrochloric Acid SCHEMBL6953846 0.79 HTR1A (0.49) HTR1ADRD2HTR1BHTR1DALDH1A1
Oxalic Acid SCHEMBL9334138 0.78 HTR1A (0.55) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6959017 0.77 HTR1A (0.51) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6952624 0.77 HTR1A (0.59) HTR1ADRD2HTR1BHTR1DALDH1A1

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-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed