SCHEMBL9601398

SCHEMBL9601398

CC(C)Oc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
SIGMAR1 Q99720 4/20 0.50
DRD3 P35462 4/20 0.50
SLC6A9 P48067 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
FAAH O00519 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTR2A P28223 2/20 0.45

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
SCHEMBL9602079 0.88 SLC6A9 (0.55) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL9601559 0.87 SLC6A9 (0.54) DRD2SIGMAR1DRD3SLC6A9SLC6A2
Oxalic Acid SCHEMBL9602668 0.85 DRD3 (0.50) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL9601390 0.83 DRD2 (0.48) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL9601882 0.83 SIGMAR1 (0.56) DRD2SIGMAR1DRD3SLC6A9SLC6A3
SCHEMBL7773850 0.82 MAPT (0.67) DRD2SIGMAR1DRD3SLC6A9SLC6A2
Hydrochloric Acid SCHEMBL7797695 0.82 MAPT (0.66) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL9601079 0.81 HSD11B1 (0.57) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL7767918 0.80 LMNA (0.53) DRD2SIGMAR1DRD3SLC6A9SLC6A2
SCHEMBL7794415 0.80 DRD3 (0.53) DRD2SIGMAR1DRD3SLC6A2SLC6A4

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-0308476-B1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Kabi Pharmacia AB (SE) 1993-02-03 EP disclosed
EP-0308476-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION. LEO AB (SE) 1989-03-29 EP disclosed
WO-1988007528-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION AKTIEBOLAGET LEO (SE) 1988-10-06 WO disclosed