SCHEMBL7069858

SCHEMBL7069858

NCCCCCc1cc(CCCCCN)cc(CCCCCN)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
HRH1 P35367 4/20 0.56
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
DNM1 Q05193 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
HTR2A P28223 1/20 0.44
NFKB1 P19838 1/20 0.41

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
SCHEMBL7436821 0.97 MAOA (0.59) MAOAHRH1CA12CA1CA2
SCHEMBL7435676 0.88 MAOA (0.48) MAOAHRH1HTR2ANFKB1
SCHEMBL31345794 0.86 CBS (0.57) MAOAHRH1
SCHEMBL7812138 0.85 MAOA (0.48) MAOAHRH1HTR2A
SCHEMBL30957025 0.85 MAOA (0.67) MAOAHRH1HTR2A
SCHEMBL6233798 0.83 HRH1 (0.47) MAOAHRH1HTR2A
SCHEMBL8438914 0.83 HRH1 (0.47) MAOAHRH1DNM1HTR2A
SCHEMBL9350714 0.82 MAOA (0.71) MAOAHRH1CA12CA1CA2
SCHEMBL12075817 0.81 TAAR1 (0.52) MAOAHRH1HTR2A
SCHEMBL17277598 0.81 TAAR1 (0.50) MAOAHRH1HTR2A

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-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 EP disclosed
US-6409909-B1 MULTIDIMENSIONAL SYSTEM FOR THE REAGENT-FREE, CONTINUOUS DETECTION OF A SUBSTANCE; AMPEROMETRY AND OPTICAL SENSORS; EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2002-06-25 US disclosed