SCHEMBL9601571

SCHEMBL9601571

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.46
NOTUM Q6P988 1/20 0.43
AVPR1A P37288 5/20 0.43
HTR4 Q13639 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
NPY5R Q15761 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9601933 0.87 HTR3A (0.45) MEN1KMT2ANOTUMNPY5RCHRM1
SCHEMBL9602833 0.86 HTR3A (0.48) NOTUMHTR4CHRM1
SCHEMBL9602598 0.84 DRD2 (0.46) MAPTCYP3A4CYP2C19
SCHEMBL9602248 0.84 MEN1 (0.43) MEN1KMT2AHTR4CYP3A4
SCHEMBL7265882 0.82 NOTUM (0.54) MEN1KMT2AMAPTNOTUMAVPR1A
SCHEMBL9602370 0.80 SMN1; SMN2 (0.48) MEN1KMT2AMAPT
SCHEMBL9602198 0.78 DRD2 (0.46) MEN1KMT2AMAPT
SCHEMBL9601408 0.72 SMN1; SMN2 (0.48) MEN1KMT2AMAPTNOTUMHTR4
SCHEMBL7265532 0.70 NOTUM (0.56) MEN1KMT2AMAPTNOTUMHTR4
SCHEMBL29998430 0.70 KMT2A (0.47) KMT2ANOTUMAVPR1ANPY5R

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