SCHEMBL7808745

SCHEMBL7808745

Cc1cn(CCN(C)C)c2cc(-n3cnnc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR6 P50406 11/20 0.37
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
KDR P35968 1/20 0.33
CNR2 P34972 1/20 0.33
BPTF Q12830 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
Hydrochloric Acid SCHEMBL8031123 0.99 HTR1D (0.43) HTR1DHTR1BHTR6HTR2CHTR2A
SCHEMBL7798270 0.77 HTR1D (0.50) HTR1DHTR1BKDR
Hydrochloric Acid SCHEMBL8033522 0.76 HTR1D (0.49) HTR1DHTR1BKDR
SCHEMBL7804940 0.76 HTR2C (0.57) HTR1DHTR1BHTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL27397107 0.75 SLC22A12 (0.31) HTR1DHTR1BSLC22A12
Hydrochloric Acid SCHEMBL8035287 0.75 HTR2C (0.56) HTR1DHTR1BHTR6HTR2CHTR2A
SCHEMBL7798188 0.73 HTR2C (0.54) HTR1DHTR1BHTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL8031634 0.72 HTR2C (0.52) HTR1DHTR1BHTR6HTR2CHTR2A
SCHEMBL7808748 0.72 HTR1D (0.34) HTR1DHTR1B
Hydrochloric Acid SCHEMBL8031488 0.71 HTR1D (0.53) HTR1DHTR1BHTR2CHTR2A

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-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed