SCHEMBL8612635

SCHEMBL8612635

COc1ccc(NCC(O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IGF1R P08069 1/20 0.50
MC4R P32245 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL7754375 0.85 IGF1R (0.55) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL7754377 0.84 CYP2D6 (0.48) CYP2D6MEN1KMT2ALMNAADORA3
Hydrochloric Acid SCHEMBL7548578 0.84 IGF1R (0.54) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL7446980 0.81 IGF1R (0.56) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL9416450 0.81 CYP2D6 (0.46) CYP2D6MEN1KMT2ALMNAADORA3
SCHEMBL9145573 0.80 MAPT (0.56) CYP2D6MEN1KMT2AIGF1RMC4R
SCHEMBL7435733 0.80 IGF1R (0.60) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL7439416 0.77 IGF1R (0.57) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL14355260 0.77 IGF1R (0.60) CYP2D6MEN1KMT2AIGF1RLMNA
SCHEMBL9572466 0.77 MAPT (0.60) CYP2D6MEN1KMT2AIGF1RDRD2

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