SCHEMBL7326009

SCHEMBL7326009

CCC(CCCCN)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
DNM1 Q05193 4/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL4267683 0.84 HRH3 (0.38) SLC6A4SLC6A3HRH3MEN1KMT2A
SCHEMBL4275497 0.82 HRH3 (0.37) HRH3MEN1KMT2AALDH1A1
SCHEMBL29106969 0.82 HRH3 (0.37) HRH3MEN1KMT2AALDH1A1
SCHEMBL4268661 0.82 HRH3 (0.37) HRH3MEN1KMT2AALDH1A1
SCHEMBL4281234 0.82 HRH3 (0.37) HRH3MEN1KMT2AALDH1A1
SCHEMBL2230356 0.82 HRH3 (0.36) SLC6A4SLC6A3HRH3DNM1MEN1
SCHEMBL12698815 0.82 HRH3 (0.42) SLC6A4SLC6A3HRH3DNM1MEN1
SCHEMBL4275008 0.80 FDPS (0.36) HRH3DNM1TSHR
SCHEMBL4639527 0.80 LMNA (0.36) SLC6A4SLC6A3MEN1KMT2AALDH1A1
SCHEMBL4276675 0.80 FDPS (0.36) HRH3DNM1TSHR

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-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed