SCHEMBL8539574

SCHEMBL8539574

O=C(C1CCc2nc[nH]c2C1)N1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR3A P46098 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
POLB P06746 2/20 0.48
USP2 O75604 2/20 0.47
RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL30037316 0.99 TSHR (0.57) TSHRLMNAMAPTMAPK1HSD17B10
Hydrochloric Acid SCHEMBL9076705 0.99 TSHR (0.57) TSHRLMNAMAPTMAPK1HSD17B10
Fumaric Acid SCHEMBL9051223 0.94 TSHR (0.52) TSHRLMNAMAPTMAPK1HSD17B10
SCHEMBL1023584 0.91 TSHR (0.59) TSHRLMNAMAPTMAPK1HSD17B10
SCHEMBL1023583 0.91 TSHR (0.59) TSHRLMNAMAPTMAPK1HSD17B10
Hydrochloric Acid SCHEMBL1023299 0.90 TSHR (0.57) TSHRLMNAMAPTMAPK1HSD17B10
Hydrochloric Acid SCHEMBL9050997 0.90 TSHR (0.57) TSHRLMNAMAPTMAPK1HSD17B10
Fumaric Acid SCHEMBL9052777 0.88 POLB (0.52) TSHRLMNAMAPTMAPK1HSD17B10
Fumaric Acid SCHEMBL9051209 0.85 TSHR (0.52) TSHRLMNAMAPTMAPK1HSD17B10
SCHEMBL9050604 0.82 KEAP1 (0.55) TSHRLMNAMAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP claimed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP claimed
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP disclosed
US-5496942-A 5-HT3-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP disclosed