SCHEMBL8955934

SCHEMBL8955934

CC(C(O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.77
ADRA1A P35348 6/20 0.77
ADRA2A P08913 5/20 0.77
HTR2A P28223 5/20 0.77
GRIN1 Q05586 5/20 0.77
HTR2B P41595 4/20 0.77
SIGMAR1 Q99720 3/20 0.77
GRIN2D O15399 3/20 0.77
GRIN2A Q12879 3/20 0.77
GRIN2C Q14957 3/20 0.77
CYP1A2 P05177 3/20 0.77
HTR1A P08908 2/20 0.77
MTOR P42345 2/20 0.77
GRIN3B O60391 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
GRIN3A Q8TCU5 2/20 0.77
LMNA P02545 2/20 0.77
ADRB1 P08588 1/20 0.77
DRD2 P14416 1/20 0.77

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
SCHEMBL10730355 0.95 GRIN2B (0.69) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL10753222 0.90 GRIN2B (0.62) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL10729073 0.88 GRIN2B (0.76) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL16884534 0.87 GRIN2B (0.74) GRIN2BADRA1AADRA2AHTR2AGRIN1
Ifenprodil SCHEMBL34010 0.87 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
(R,S)-Ifenprodil SCHEMBL12618846 0.87 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
(R,S)-Ifenprodil SCHEMBL21614195 0.87 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
Ifenprodil SCHEMBL12496650 0.87 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL10735593 0.87 GRIN2B (0.85) GRIN2BADRA1AADRA2AHTR2AGRIN1
Ifenprodil SCHEMBL17654723 0.86 GRIN2B (0.97) GRIN2BADRA1AADRA2AHTR2AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232423-A1 CIRCULATION IMPROVING AGENT GRELAN PHARMACEUTICAL CO., LTD. (JP) 1987-08-19 EP claimed
JP-57156462-A None JP disclosed
JP-57150664-A None JP disclosed
JP-57150664-A None JP disclosed
JP-8169828-A None JP disclosed
JP-62201867-A None JP disclosed
JP-56079666-A None JP disclosed
JP-58222077-A None JP disclosed
JP-H08169828-A CALCIUM ANTAGONISTIC AGENT GRELAN PHARMACEUT CO LTD 1996-07-02 JP disclosed
EP-0232423-A4 CIRCULATION IMPROVING AGENT. GRELAN PHARMACEUTICAL CO (JP) 1987-12-09 EP disclosed
JP-S62201867-A CIRCULATION IMPROVER GRELAN PHARMACEUT CO LTD 1987-09-05 JP disclosed
EP-0232423-A1 CIRCULATION IMPROVING AGENT GRELAN PHARMACEUTICAL CO., LTD. (JP) 1987-08-19 EP disclosed
EP-0232423-A1 CIRCULATION IMPROVING AGENT GRELAN PHARMACEUTICAL CO., LTD. (JP) 1987-08-19 EP disclosed
WO-1987000433-A1 CIRCULATION IMPROVING AGENT GRELAN PHARMACEUTICAL CO., LTD. (JP) 1987-01-29 WO disclosed
JP-S58222077-A PREPARATION OF 1-(4-HYDROXYPHENYL)-2-(4-BENZYL- PIPERIDINO)-PROPAN-1-OL TARTARIC ACID SALT YODOGAWA SEIYAKU KK 1983-12-23 JP disclosed
JP-S57156462-A PREPARATION OF 2-(4-BENZYLPIPERIDINO)-1- (4-BENZYLOXYPHENYL)-1-PROPANOL TOHO IYAKU KENKYUSHO:KK 1982-09-27 JP disclosed
JP-S57150664-A PREPARATION OF 2-(4-BENZYLPIPERIDINO)-1-(4- BENZYLOXYPHENYL)- 1-PROPANOL TOHO IYAKU KENKYUSHO:KK 1982-09-17 JP disclosed
JP-S57150664-A PREPARATION OF 2-(4-BENZYLPIPERIDINO)-1-(4- BENZYLOXYPHENYL)- 1-PROPANOL TOHO IYAKU KENKYUSHO:KK 1982-09-17 JP disclosed
JP-S5679666-A ERYTHRO 1- 4-BENZYLOXYPHENYL -2- 4-BENZYLPIPERIDINO PROPANOL AND ITS PREPARATION GRELAN PHARMACEUT CO LTD 1981-06-30 JP disclosed