SCHEMBL11489201

SCHEMBL11489201

CC(C)(C)OC(=O)N1CCN(C(=O)OC2C3=C(SCCS3)C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
RECQL P46063 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
GBA1 P04062 1/20 0.35
STS P08842 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MEN1 O00255 1/20 0.34

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
Suriclone SCHEMBL114688 0.91 ADORA3 (0.45) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11486094 0.91 ADORA3 (0.37) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11268435 0.90 ADORA3 (0.35) POLBMAPTADORA3RECQLGABRA1
SCHEMBL11485464 0.87 ADORA3 (0.35) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11486374 0.87 ADORA3 (0.34) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11488736 0.87 MAPT (0.35) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11488469 0.83 GPR119 (0.39) POLBMAPTADORA3RECQLGABRA1
SCHEMBL11834465 0.79 ADORA3 (0.40) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11863960 0.78 MAPT (0.42) MAPTADORA3RECQLGABRA1GABRA3
SCHEMBL11268377 0.78 MAPT (0.35) MAPTADORA3RECQLGABRA1GABRA3

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
US-4220646-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, HYPNOTIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1980-09-02 US disclosed