SCHEMBL8554573

SCHEMBL8554573

NN1c2ccccc2CCC1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.41
MTNR1B P49286 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10816361 0.80 CHRM2 (0.44) MTNR1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8553144 0.79 CHRM2 (0.43) MTNR1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL13068286 0.76 DRD2 (0.41) CHRM2CHRM4CHRM1DRD2CHRM3
SCHEMBL28430539 0.76 DRD2 (0.41) CHRM2CHRM4CHRM1DRD2CHRM3
SCHEMBL9685608 0.74 TSHR (0.41) TSHRPOLBGAASMN1; SMN2
SCHEMBL1473250 0.72 PLAU (0.44) CHRM2CHRM1DRD3TSHRGAA
SCHEMBL8071751 0.72 HTR2A (0.43) TSHRGAASMN1; SMN2
SCHEMBL9396982 0.70 GAA (0.50) CHRM2CHRM4CHRM1DRD2CHRM3
SCHEMBL9470084 0.70 MTNR1A (0.59) MTNR1ACHRM2CHRM4CHRM1DRD2
SCHEMBL11795278 0.69 MTNR1A (0.55) MTNR1AMTNR1BCHRM2CHRM4CHRM5

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-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed