SCHEMBL6202512

SCHEMBL6202512

COc1ccc(C(N)C2CCCCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
HPGDS O60760 1/20 0.36
CNR1 P21554 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
IDO1 P14902 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
SCHEMBL30320162 0.77 CACNA1I (0.42) SLC6A4SLC6A3
SCHEMBL1063334 0.77 CACNA1I (0.42) SLC6A4SLC6A3
SCHEMBL12392104 0.77 CACNA1I (0.42) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1057145 0.75 CACNA1I (0.41) SLC6A4SLC6A3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27772201 0.75 CACNA1I (0.41) SLC6A4SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL6253217 0.74 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14390178 0.74 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2ALDH1A1SMN1; SMN2
SCHEMBL6253991 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24741598 0.71 AKT2 (0.35) EPHX1
SCHEMBL24742025 0.71 AKT2 (0.35) EPHX1

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-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO disclosed