SCHEMBL10695750

SCHEMBL10695750

CCCCN(CCCC)c1ccc(C(=O)Oc2cn3cc(Br)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MAP3K5 Q99683 1/20 0.38
APP P05067 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL7684650 0.69 HRH3 (0.68) HRH3
SCHEMBL10695752 0.69 HRH3 (0.49) HRH3MAP3K5APP
SCHEMBL7684647 0.69 HRH3 (0.45) HRH3MAP3K5APPKDM4ENPC1
SCHEMBL5280286 0.69 L3MBTL1 (0.59) EGFRERBB2KDM4ENPC1ALDH1A1
SCHEMBL8602388 0.67 ESR1 (0.54) EGFRERBB2NPC1ALDH1A1POLB
SCHEMBL1500236 0.67 KDM4E (0.64) KDM4ENPC1ALDH1A1POLBGAA
SCHEMBL1500262 0.66 PIK3CG (0.51) HRH3MAP3K5APPKDM4ENPC1
SCHEMBL1275299 0.66 EGFR (0.44) EGFRERBB2KDM4EALDH1A1POLB
SCHEMBL1827424 0.65 EGFR (0.59) EGFRERBB2KDM4ENPC1ALDH1A1
SCHEMBL11314840 0.64 EGFR (0.58) EGFRERBB2KDM4ENPC1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US disclosed