SCHEMBL7094571

SCHEMBL7094571

OCCC(c1ccccc1)N1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.51
OPRL1 P41146 8/20 0.50
OPRM1 P35372 7/20 0.50
OPRD1 P41143 7/20 0.50
OPRK1 P41145 7/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MC4R P32245 3/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL5722465 0.90 ADRA2A (0.50) SLC6A4MC4R
SCHEMBL9816200 0.88 SLC6A4 (0.69) SLC6A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL27782829 0.88 SLC6A4 (0.69) SLC6A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9284849 0.81 ADRA2A (0.46) MC4R
SCHEMBL30269771 0.80 GBA1 (0.42) SLC6A4OPRL1OPRM1OPRD1OPRK1
SCHEMBL12508381 0.78 KCNA5 (0.48) SLC6A4OPRL1OPRM1OPRD1OPRK1
SCHEMBL12806778 0.78 SLC6A4 (0.66) SLC6A4CYP1A2CYP2C19CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9850163 0.77 OPRL1 (0.38) SLC6A4OPRL1OPRM1OPRD1OPRK1
SCHEMBL12806751 0.77 SLC6A4 (0.64) SLC6A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3583059 0.76 OPRL1 (0.63) SLC6A4OPRL1CYP1A2CYP2C19CYP2D6

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
WO-2003089476-A1 CROSS-LINKED HYALURONATE COMPOUNDS GENZYME CORPORATION (US) 2003-10-30 WO claimed
WO-2003089476-A1 CROSS-LINKED HYALURONATE COMPOUNDS GENZYME CORPORATION (US) 2003-10-30 WO disclosed
WO-2003089026-A1 AZIRIDINE COMPOUNDS AND THEIR USE IN MEDICAL DEVICES GENZYME CORPORATION (US) 2003-10-30 WO disclosed