SCHEMBL8611930

SCHEMBL8611930

COc1ccc(CNCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
GPR35 Q9HC97 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
XBP1 P17861 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2D6 P10635 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CACNA1F O60840 3/20 0.49
ADORA3 P0DMS8 3/20 0.49
DRD5 P21918 3/20 0.49
HRH2 P25021 3/20 0.49
ADRA1D P25100 3/20 0.49
HTR2A P28223 3/20 0.49
HTR7 P34969 3/20 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
SCHEMBL8616693 0.89 HTR2A (0.50) MAPK1LMNACYP2D6MEN1KMT2A
SCHEMBL7751327 0.88 SLC6A3 (0.54) MAPK1LMNACYP2D6MEN1KMT2A
SCHEMBL8611835 0.87 DRD3 (0.49) MAPK1LMNANPSR1CYP2D6MEN1
Hydrochloric Acid SCHEMBL7544797 0.87 SLC6A3 (0.53) MAPK1HTTCYP2D6MEN1KMT2A
SCHEMBL7754377 0.86 CYP2D6 (0.48) MAPK1LMNACYP2D6MEN1KMT2A
SCHEMBL9416450 0.83 CYP2D6 (0.46) MAPK1LMNACYP2D6MEN1KMT2A
SCHEMBL9143642 0.83 CYP2D6 (0.47) MAPK1CYP2D6MEN1KMT2ACACNA1F
SCHEMBL8614302 0.83 KCNH2 (0.48) MAPK1LMNACYP2D6MEN1KMT2A
SCHEMBL8614292 0.81 KCNH2 (0.52) MAPK1LMNACNR1HTTCYP2D6
SCHEMBL8610947 0.81 KCNH2 (0.50) MAPK1LMNACNR1HTTCYP2D6

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 4 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-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