SCHEMBL11268377

SCHEMBL11268377

CCC(=O)N1CCN(C(=O)OC2C3=C(SCC(OC)CS3)C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
RECQL P46063 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 5/20 0.33
USP2 O75604 1/20 0.30
F2 P00734 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30

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
SCHEMBL11263246 0.91 ADORA3 (0.44) MAPTTSHRADORA3RECQLGABRA1
Suproclone SCHEMBL113028 0.90 MAPT (0.36) MAPTTSHRADORA3RECQLGABRA1
Suproclone SCHEMBL29419877 0.90 MAPT (0.36) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11268435 0.89 ADORA3 (0.35) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11266878 0.89 ADORA3 (0.35) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11272700 0.89 ADORA3 (0.34) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11270231 0.88 ADORA3 (0.35) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11267142 0.85 TSHR (0.51) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11488736 0.83 MAPT (0.35) MAPTTSHRADORA3RECQLGABRA1
SCHEMBL11262906 0.82 ADORA3 (0.42) MAPTTSHRADORA3RECQLGABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327095-A TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US claimed
US-4327095-A TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US disclosed