SCHEMBL8567589

SCHEMBL8567589

c1ccc2[nH]c(NCCN3CCCCC3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.78
BCHE P06276 2/20 0.57
TRPC3 Q13507 1/20 0.57
TRPC4 Q9UBN4 1/20 0.57
TRPC5 Q9UL62 1/20 0.57
HTT P42858 1/20 0.57
BACE1 P56817 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACHE P22303 3/20 0.54
PARP1 P09874 1/20 0.53
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TOP2A P11388 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51

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
SCHEMBL1775576 0.89 TSHR (0.64) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL8567802 0.88 TSHR (1.00) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL2446553 0.88 BACE1 (0.69) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL2445746 0.86 BACE1 (0.73) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL7521873 0.85 TSHR (0.73) TSHRBCHETRPC3TRPC4TRPC5
Bromide SCHEMBL7520808 0.84 TSHR (0.72) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL7519030 0.81 DRD4 (0.67) TSHRBACE1KDM4EPARP1RAB9A
Bromide SCHEMBL7519988 0.81 DRD4 (0.65) TSHRBACE1KDM4EPARP1RAB9A
SCHEMBL17749563 0.80 TSHR (0.86) TSHRBCHETRPC3TRPC4TRPC5
SCHEMBL12332532 0.80 BACE1 (0.69) TSHRBCHETRPC3TRPC4TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed