SCHEMBL7754375

SCHEMBL7754375

OC(CNc1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
OPRM1 P35372 3/20 0.53
OPRD1 P41143 2/20 0.53
LMNA P02545 3/20 0.51
CYP2D6 P10635 3/20 0.51
HIF1A Q16665 2/20 0.51
ATM Q13315 2/20 0.51
MAPT P10636 2/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
CACNA1B Q00975 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 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
Hydrochloric Acid SCHEMBL7548578 0.99 IGF1R (0.54) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL8616272 0.91 KMT2A (0.64) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL7755959 0.85 SLC6A3 (0.50) HTR1ADRD2SLC6A4DRD3SLC6A3
SCHEMBL9416485 0.85 SLC6A3 (0.45) IGF1RMEN1KMT2AATMDRD2
SCHEMBL8612635 0.85 CYP2D6 (0.50) IGF1RMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL7543310 0.84 SLC6A3 (0.49) HTR1ADRD2SLC6A4DRD3SLC6A3
SCHEMBL4760958 0.83 CYP3A4 (0.51) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL8615736 0.83 CYP3A4 (0.51) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL8616378 0.83 CYP3A4 (0.51) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL8612798 0.83 IGF1R (0.53) IGF1RMEN1KMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706796-B1 DOPAMINE RE-UPTAKE INHIBITORS FOR THE TREATMENT OF PARKINSON'S SYNDROME POLA CHEM IND INC (JP) 2001-02-28 EP claimed
US-5747493-A N-/DIPHENYLALKYL/-PIPERAZINYL-2-HYDROXYPROPYLAMINES POLA CHEMICAL INDUSTRIES, INC. (JP) 1998-05-05 US claimed
EP-0706796-A1 DOPAMINE REINCORPORATION INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 1996-04-17 EP claimed
EP-0549796-B1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEM IND INC (JP) 1998-04-29 EP disclosed
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US disclosed
EP-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP disclosed
EP-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed