SCHEMBL9602833

SCHEMBL9602833

COc1ccc2c(c1)CCN2OC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.48
HTR4 Q13639 2/20 0.48
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9601571 0.86 MEN1 (0.51) HTR4NOTUMCHRM1
SCHEMBL9601933 0.86 HTR3A (0.45) HTR3ANOTUMCHRM1
SCHEMBL7265532 0.84 NOTUM (0.56) HTR3AHTR4NOTUMALDH1A1TUBB4A
SCHEMBL9602598 0.83 DRD2 (0.46) ALDH1A1DPP4
SCHEMBL9602248 0.83 MEN1 (0.43) HTR3AHTR4ALDH1A1HSD17B10
SCHEMBL9602370 0.79 SMN1; SMN2 (0.48) HTR3A
SCHEMBL9602198 0.77 DRD2 (0.46) ALDH1A1
SCHEMBL9601408 0.72 SMN1; SMN2 (0.48) HTR4NOTUMALDH1A1
SCHEMBL10537786 0.70 MAPT (0.67) HTR3AHTR4ALDH1A1
SCHEMBL16018991 0.69 PKM (0.60) HTR3AHTR4ALDH1A1CHRM1

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