SCHEMBL7617880

SCHEMBL7617880

CCN1CCN(Cc2ccc(C)cn2)CCN(Cc2ccc(C)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.45
TP53 P04637 2/20 0.42
MEN1 O00255 3/20 0.41
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12513 0.86 LTA4H (0.45) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL16132004 0.86 HRH3 (0.49) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL12894384 0.86 HRH3 (0.53) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL20071132 0.85 KCNH2 (0.39) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL12064 0.84 HRH3 (0.55) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL16131997 0.82 CYP2C19 (0.44) ALDH1A1KMT2ATP53MEN1HRH3
SCHEMBL20148585 0.82 HRH3 (0.55) ALDH1A1KCNH2SCN5ASCN9AHRH3
SCHEMBL5254916 0.81 CYP1A2 (0.45) ALDH1A1KMT2AHRH3SMN1; SMN2NPSR1
SCHEMBL1126270 0.81 GAA (0.49) ALDH1A1KMT2ATP53MEN1HRH3
SCHEMBL20160684 0.81 CXCR4 (0.49) ALDH1A1KMT2AMEN1KCNH2SCN5A

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-6432900-B1 ANTISOILANTS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-08-13 US claimed
US-6432900-B1 ANTISOILANTS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-08-13 US disclosed