SCHEMBL11486374

SCHEMBL11486374

O=C(OC1C2=C(SCCS2)C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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 SCHEMBL30658453 0.89 ADORA3 (0.45) ADORA3MAPTRECQLGABRA1GABRA3
Suriclone SCHEMBL114688 0.89 ADORA3 (0.45) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11486094 0.89 ADORA3 (0.37) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11272700 0.88 ADORA3 (0.34) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11485464 0.88 ADORA3 (0.35) ADORA3MAPTRECQLGABRA1GABRA3
Suproclone SCHEMBL113028 0.87 MAPT (0.36) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11489201 0.87 POLB (0.36) ADORA3MAPTRECQLGABRA1GABRA3
Suproclone SCHEMBL29419877 0.87 MAPT (0.36) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11489883 0.86 ADORA3 (0.34) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11488736 0.85 MAPT (0.35) ADORA3MAPTRECQLGABRA1GABRA3

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