SCHEMBL6862876

SCHEMBL6862876

c1ccc(-c2nc3c(N4CCNCC4)cccc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.63
GNRHR P30968 4/20 0.52
HTR2A P28223 3/20 0.51
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
HTR5A P47898 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
GRIN2B Q13224 1/20 0.51
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
FGFR1 P11362 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
NCF1 P14598 1/20 0.48

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
SCHEMBL3274724 0.85 GNRHR (0.70) GNRHR
SCHEMBL3279270 0.83 HTR6 (0.51) HTR6GNRHRCDK1CDK2MKNK1
SCHEMBL6637856 0.78 HTR6 (0.64) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL6862878 0.78 HTR6 (0.51) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL5363679 0.75 GNRHR (0.66) HTR6GNRHRHTR2AHTR1AHTR2C
SCHEMBL3463336 0.74 HTR6 (0.55) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL8693721 0.72 PARP1 (0.54) HTR2ACYP1A2CYP2D6GRIN2BHTR2C
SCHEMBL13384132 0.71 GNRHR (0.62) GNRHR
SCHEMBL31027957 0.71 DHODH (0.59) CYP1A2CYP2D6GRIN2BDHODHPARP1
SCHEMBL532061 0.70 ACHE (0.68) HTR3AHSD17B10PARP1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed