SCHEMBL9601362

SCHEMBL9601362

Fc1ccc(C(CCCN2CCCN(c3ccccn3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.74
DRD3 P35462 8/20 0.74
SIGMAR1 Q99720 6/20 0.74
HTR1A P08908 7/20 0.64
DRD4 P21917 7/20 0.64
HTR2A P28223 6/20 0.64
HTR7 P34969 6/20 0.64
TMEM97 Q5BJF2 3/20 0.64
HTR2C P28335 3/20 0.64
SLC6A4 P31645 2/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
ADRA2C P18825 3/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HRH1 P35367 3/20 0.61
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
Hydrochloric Acid SCHEMBL9603058 0.94 DRD2 (0.79) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL13532634 0.85 DRD2 (1.00) DRD2DRD3SIGMAR1HTR1ADRD4
Hydrochloric Acid SCHEMBL9601414 0.82 DRD2 (0.64) DRD2DRD3SIGMAR1HTR1ADRD4
Hydrochloric Acid SCHEMBL9603075 0.81 SLC6A2 (0.64) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL4752716 0.79 DRD3 (0.57) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL595744 0.79 SLC6A2 (0.85) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL9601301 0.79 DRD2 (0.56) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL5023694 0.78 DRD2 (0.65) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL10833537 0.78 DRD3 (0.55) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL13532638 0.77 HTR1A (0.88) DRD2DRD3SIGMAR1HTR1ASLC6A2

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 2 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