SCHEMBL27387166

SCHEMBL27387166

c1ccc2c(c1)CCC2Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B2 P19099 1/20 0.50
HRH3 Q9Y5N1 10/20 0.48
HRH4 Q9H3N8 6/20 0.47
HTR3A P46098 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46

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
Fadolmidine SCHEMBL7917217 0.80 ESR1 (0.59) CYP19A1HRH3HRH4HTR3A
SCHEMBL7791634 0.80 HTR3A (0.44) HRH3HRH4HTR3ATAAR1
Fadolmidine SCHEMBL1649867 0.78 ESR1 (0.57) CYP19A1HRH3HRH4HTR3A
SCHEMBL7800815 0.77 HRH3 (0.44) HRH3HRH4HTR3ATAAR1
SCHEMBL1340417 0.74 HTR6 (0.48) HTR6
SCHEMBL1339698 0.74 HTR6 (0.48) HTR6
SCHEMBL1339435 0.74 HTR6 (0.48) HTR6CYP19A1
SCHEMBL1338621 0.74 HTR6 (0.48) HTR6
SCHEMBL9311027 0.72 HTR6 (0.75) HTR6CYP19A1
SCHEMBL22606737 0.71 HTR6 (0.55) HTR6CYP11B2

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
CN-1068592-C Imidazole derivatives having affinity for alpha 2 receptors activity ORION YHTYMAE OY (FI) 2001-07-18 CN disclosed
CN-1198741-A Imidazole derivatives having affinity for alpha 2 receptor activity ORION YHTYMAE OY (FI) 1998-11-11 CN disclosed