SCHEMBL11486267

SCHEMBL11486267

CC(C)C(=O)N1CCN(C(=O)OC2c3ccccc3C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
RECQL P46063 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11711653 0.91 HRH3 (0.43) MAPTADORA3RECQLHRH3
SCHEMBL11491061 0.90 MAPT (0.39) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11708850 0.90 MAPT (0.47) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11483893 0.88 L3MBTL1 (0.47) TSHRMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL11608602 0.88 TSHR (0.37) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11706948 0.88 ALDH1A1 (0.39) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11488469 0.88 GPR119 (0.39) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11484070 0.88 ALDH1A1 (0.39) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11710277 0.88 TSHR (0.37) TSHRMAPTADORA3RECQLGABRA1
SCHEMBL11487657 0.87 TSHR (0.36) TSHRMAPTADORA3RECQLGABRA1

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