SCHEMBL8612798

SCHEMBL8612798

OC(CNCc1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ATM Q13315 2/20 0.52
DNM1 Q05193 1/20 0.52
OPRM1 P35372 3/20 0.51
OPRD1 P41143 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
SLC6A3 Q01959 4/20 0.50
SLC6A4 P31645 3/20 0.50
DRD2 P14416 3/20 0.50
HTR1A P08908 2/20 0.50
DRD3 P35462 2/20 0.50
HTR7 P34969 1/20 0.50
DRD4 P21917 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
CYP2D6 P10635 2/20 0.49
HIF1A Q16665 2/20 0.49

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
SCHEMBL8637097 0.91 MEN1 (0.61) IGF1RMEN1KMT2AATMDNM1
SCHEMBL9416485 0.87 SLC6A3 (0.45) IGF1RMEN1KMT2AATMDNM1
SCHEMBL7751327 0.84 SLC6A3 (0.54) MEN1KMT2ADNM1OPRM1OPRD1
Hydrochloric Acid SCHEMBL7544797 0.83 SLC6A3 (0.53) MEN1KMT2ADNM1OPRM1OPRD1
SCHEMBL7754375 0.83 IGF1R (0.55) IGF1RMEN1KMT2AATMOPRM1
SCHEMBL7439416 0.83 IGF1R (0.57) IGF1RMEN1KMT2AATMOPRM1
Hydrochloric Acid SCHEMBL7548578 0.82 IGF1R (0.54) IGF1RMEN1KMT2AATMOPRM1
SCHEMBL7435733 0.80 IGF1R (0.60) IGF1RMEN1KMT2AATMOPRM1
SCHEMBL24322660 0.79 MEN1 (0.58) IGF1RMEN1KMT2AATMOPRM1
SCHEMBL8612921 0.79 MEN1 (0.58) IGF1RMEN1KMT2AATMOPRM1

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-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-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed