SCHEMBL7808748

SCHEMBL7808748

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.31

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 SCHEMBL8031125 0.99 HTR1D (0.33) HTR1DHTR1BCYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL8035283 0.74 HTR1D (0.32) HTR1DHTR1BCYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL8031631 0.71 HTR1D (0.32) HTR1DHTR1BCYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL8031123 0.71 HTR1D (0.43) HTR1DHTR1B
SCHEMBL7798145 0.69 KMO (0.35) HTR1DHTR1BCYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL8021863 0.68 KMO (0.34) HTR1DHTR1BCYP1A2CYP2C9LMNA
Hydrochloric Acid SCHEMBL8031133 0.67 PTGDR2 (0.37) HTR1DHTR1B
SCHEMBL10022383 0.63 CYP1A2 (0.40) HTR1DHTR1BCYP1A2CYP2C9LMNA
SCHEMBL12841361 0.63 CYP1A2 (0.47) CYP1A2CYP2C9
SCHEMBL7798270 0.63 HTR1D (0.50) HTR1DHTR1B

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