SCHEMBL7700928

SCHEMBL7700928

c1ccc2c(C3CC[N]CC3)coc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.55
SLC6A4 P31645 2/20 0.55
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR2A P28223 13/20 0.43
DRD3 P35462 13/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13584551 0.79 SLC6A4 (0.55) DRD2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL4143095 0.78 DRD2 (0.54) DRD2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL8917899 0.78 CYP11B1 (0.40) DRD2SLC6A4HTR2ADRD3
SCHEMBL8920622 0.78 ALDH1A1 (0.39) DRD2SLC6A4SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8917923 0.78 MAPT (0.39) DRD2SLC6A4HTR2ADRD3SMN1; SMN2
SCHEMBL8916173 0.78 PTPN1 (0.40) DRD2SLC6A4SMN1; SMN2ALDH1A1
SCHEMBL8918420 0.78 PTPN1 (0.40) DRD2SLC6A4HTR2ADRD3
SCHEMBL8917162 0.78 PTPN1 (0.40) DRD2SLC6A4HTR2ADRD3ALDH1A1
SCHEMBL12719808 0.77 DRD2 (0.72) DRD2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL8917845 0.76 KCNA3 (0.36) DRD2SLC6A4CHRNB2CHRNA4SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-6348457-B1 ANTAGONIZING RESERPINE IN MAMMALS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-19 US disclosed
EP-0672043-B1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA NV (BE) 2001-05-30 EP disclosed
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-0672043-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-20 EP disclosed
WO-1994001437-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-20 WO disclosed