SCHEMBL6380737

SCHEMBL6380737

O=CN1CCC[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
CYP2C19 P33261 1/20 0.58
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
F2 P00734 2/20 0.51

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
SCHEMBL21401325 1.00 FKBP1A (0.59) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21696659 0.92 ALDH1A1 (0.54) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21696702 0.87 FKBP1A (0.55) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21696542 0.87 POLB (0.54) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21696497 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21696977 0.87 POLB (0.54) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21696849 0.87 ALDH1A1 (0.47) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL22955244 0.87 ALDH1A1 (0.47) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21696549 0.87 PKM (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21697384 0.84 ALDH1A1 (0.45) FKBP1AALDH1A1CYP3A4CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086941-B1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORP (JP) 2005-08-17 EP disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 US disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 EP disclosed