SCHEMBL18659830

SCHEMBL18659830

CC(CCC(CCC(C)c1ccccn1)c1cccnc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.40
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL20694212 1.00 KCNA5 (0.40) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL12533650 0.91 KCNA5 (0.38) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL26023770 0.91 KCNA5 (0.40) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL18400269 0.88 KCNA5 (0.45) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL20465414 0.88 KCNA5 (0.45) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL25492608 0.84 CYP3A4 (0.41) KCNA5SLC6A2SLC6A4CYP1A2CHRM2
SCHEMBL22645178 0.81 KCNA5 (0.38) KCNA5SLC6A2SLC6A4CHRM2SCN1A
SCHEMBL24959978 0.81 KCNA5 (0.38) KCNA5SLC6A2SLC6A4CHRM2SCN1A
SCHEMBL18658742 0.80 SLC6A2 (0.46) KCNA5SLC6A2SLC6A4KDM4ESLC6A3
SCHEMBL13428369 0.80 SLC6A2 (0.55) SLC6A2SLC6A4CYP1A2CHRM2SCN1A

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
US-10222390-B2 Near-infrared fluorescent sensors for biological amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-03-05 — — US disclosed
US-20170082645-A1 NEAR-INFRARED FLUORESCENT SENSORS FOR BIOLOGICAL AMINES THE CURATORS OF THE UNIVERSITY OF MISSOURI 2017-03-23 — — US disclosed
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