SCHEMBL9602385

SCHEMBL9602385

CN1C2CCC1CC(NC(=O)On1ccc3ccccc31)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR3A P46098 4/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR4 Q13639 1/20 0.48
HTR3E A5X5Y0 1/20 0.46
SLC22A2 O15244 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46

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
SCHEMBL7266776 0.81 HTR3A (0.55) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL9601383 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL7429564 0.80 HTR3A (0.54) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL7385250 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL9602256 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL7383321 0.75 HTR3A (0.51) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL4102887 0.73 NOTUM (0.47) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL4630078 0.73 NOTUM (0.47) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL9602248 0.71 MEN1 (0.43) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL9531967 0.70 HTR3A (0.57) ALDH1A1CYP3A4TSHRMAPK1HSD17B10

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
EP-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed