SCHEMBL8916437

SCHEMBL8916437

O=C1NCCCc2sc(CCN3CCC(c4noc5cc(F)ccc45)CC3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.59
ACHE P22303 3/20 0.58
HTR2C P28335 8/20 0.55
SLC6A4 P31645 2/20 0.55
HTR2A P28223 5/20 0.53
HTR1A P08908 3/20 0.53
SLC22A2 O15244 1/20 0.53
CACNA1F O60840 1/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
TSHR P16473 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD1 P21728 1/20 0.53

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
SCHEMBL8917266 0.94 DRD2 (0.61) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8919173 0.87 ACHE (0.58) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8916656 0.86 DRD2 (0.58) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8917156 0.85 DRD2 (0.58) DRD2ACHEHTR2CHTR2AHTR1A
SCHEMBL8917307 0.85 DRD2 (0.58) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8920261 0.85 DRD2 (0.58) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8918516 0.85 DRD2 (0.58) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8916842 0.85 DRD2 (0.53) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8917040 0.83 ACHE (0.59) DRD2ACHEHTR2CSLC6A4HTR2A
SCHEMBL8920609 0.77 DRD2 (0.59) DRD2ACHEHTR2CSLC6A4HTR2A

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
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed