SCHEMBL9601079

SCHEMBL9601079

Fc1ccc(C(CCCN2CCN(c3ncccc3C(F)(F)F)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.57
DRD2 P14416 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
DRD3 P35462 3/20 0.52
EPHX2 P34913 1/20 0.48
HTR1A P08908 1/20 0.48
ADRB3 P13945 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL9601882 0.84 SIGMAR1 (0.56) DRD2SIGMAR1DRD3HTR1ADRD1
SCHEMBL9602079 0.82 SLC6A9 (0.55) DRD2SIGMAR1DRD3HTR1AADRA2B
SCHEMBL7794415 0.82 DRD3 (0.53) DRD2SIGMAR1DRD3HTR1AADRA2B
SCHEMBL9601398 0.81 DRD2 (0.50) DRD2SIGMAR1DRD3HTR1AADRA2B
Hydrochloric Acid SCHEMBL9602576 0.81 GRM2 (0.52) DRD2SIGMAR1DRD3HTR1AADRB3
Hydrochloric Acid SCHEMBL9603075 0.80 SLC6A2 (0.64) DRD2SIGMAR1DRD3HTR1AADRA2C
SCHEMBL9601559 0.80 SLC6A9 (0.54) DRD2SIGMAR1DRD3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9602476 0.79 DRD3 (0.51) DRD2SIGMAR1DRD3HTR1AADRA2B
Hydrochloric Acid SCHEMBL9602959 0.79 MAPT (0.61) DRD2SIGMAR1DRD3HTR1ADRD4
Alcohol SCHEMBL9600777 0.79 KMT2A (0.54) DRD2SIGMAR1DRD3HTR1AADRA2B

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-0308476-B1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Kabi Pharmacia AB (SE) 1993-02-03 EP disclosed
US-4937245-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS FEX TOMAS (SE) 1990-06-26 US 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