SCHEMBL9601933

SCHEMBL9601933

CN1C2CCC1CC(NC(=O)ON1CCc3cc(F)ccc31)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.45
NOTUM Q6P988 1/20 0.43
CHRM1 P11229 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR3 P51677 1/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPY5R Q15761 1/20 0.40
CNR2 P34972 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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 0.87 MEN1 (0.51) NOTUMCHRM1MEN1KMT2ANPY5R
SCHEMBL9602833 0.86 HTR3A (0.48) HTR3ANOTUMCHRM1
SCHEMBL9602598 0.84 DRD2 (0.46)
SCHEMBL9602248 0.84 MEN1 (0.43) HTR3AMEN1KMT2A
SCHEMBL7265847 0.82 NOTUM (0.54) HTR3ANOTUMCHRM1CCR3BRD4
Hydrochloric Acid SCHEMBL7440870 0.81 NOTUM (0.53) HTR3ANOTUMCHRM1CCR3BRD4
SCHEMBL9602370 0.80 SMN1; SMN2 (0.48) HTR3AMEN1KMT2A
SCHEMBL9602198 0.78 DRD2 (0.46) MEN1KMT2A
SCHEMBL9601408 0.72 SMN1; SMN2 (0.48) NOTUMMEN1KMT2A
SCHEMBL7265532 0.70 NOTUM (0.56) HTR3ANOTUMMEN1KMT2A

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