SCHEMBL8567802

SCHEMBL8567802

c1ccc2[nH]c(NCCN3CCOCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
KDM4E B2RXH2 2/20 0.70
GAA P10253 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TERT O14746 1/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.55
BACE1 P56817 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
BCHE P06276 1/20 0.53
TRPC3 Q13507 1/20 0.53
TRPC4 Q9UBN4 1/20 0.53
TRPC5 Q9UL62 1/20 0.53
PIM1 P11309 1/20 0.53
TOP2A P11388 1/20 0.53
CASR P41180 1/20 0.53
LTA4H P09960 1/20 0.52
MEN1 O00255 1/20 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
SCHEMBL17749563 0.92 TSHR (0.86) TSHRKDM4EGAAHSD17B10TERT
SCHEMBL8567589 0.88 TSHR (0.78) TSHRKDM4EGAAHSD17B10RAB9A
SCHEMBL7521873 0.85 TSHR (0.73) TSHRKDM4EGAAHSD17B10RAB9A
Bromide SCHEMBL7520808 0.84 TSHR (0.72) TSHRKDM4EGAAHSD17B10RAB9A
SCHEMBL14325669 0.83 TSHR (0.70) TSHRKDM4EGAAHSD17B10TERT
SCHEMBL14247437 0.83 TSHR (0.70) TSHRKDM4EGAAHSD17B10TERT
SCHEMBL2445746 0.82 BACE1 (0.73) TSHRKDM4EGAAHSD17B10RAB9A
SCHEMBL8250141 0.82 TSHR (0.69) TSHRKDM4EGAAHSD17B10TERT
SCHEMBL2446553 0.79 BACE1 (0.69) TSHRRAB9ATP53BACE1HTT
SCHEMBL7519030 0.78 DRD4 (0.67) TSHRKDM4ERAB9ABACE1ALDH1A1

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