SCHEMBL7977488

SCHEMBL7977488

C1=Nc2cc3ccccc3cc2CN1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRK6 P43250 1/20 0.32
NQO2 P16083 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR5A P47898 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL30874783 1.00 MEN1 (0.35) MEN1KMT2AGRK6NQO2HTR3E
SCHEMBL29546867 0.75 TRPA1 (0.41) GRK6
SCHEMBL1398081 0.75 TRPA1 (0.41) GRK6
Hydrochloric Acid SCHEMBL30528593 0.74 NPC1 (0.43) MEN1KMT2AGRK6
Water SCHEMBL28834494 0.74 TRPA1 (0.39) GRK6
SCHEMBL29484156 0.72
Formaldehyde SCHEMBL28320754 0.71 TRPA1 (0.37)
SCHEMBL7206323 0.69 MEN1 (0.39) MEN1KMT2ANQO2HTR3A
SCHEMBL15120307 0.69 HTR5A (0.35) HTR5A
SCHEMBL29809502 0.69 CYP2D6 (0.33) MEN1KMT2A

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
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed