SCHEMBL9633474

SCHEMBL9633474

CCCCCCCCCCCC(=O)N1CCCN(CCO)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
GNAI3 P08754 9/20 0.55
GNAI1 P63096 9/20 0.55
GNAO1 P09471 8/20 0.50
TSHR P16473 1/20 0.45
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL9633178 0.94 GNAI3 (0.61) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL10975718 0.88 L3MBTL1 (0.55) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL9634169 0.86 L3MBTL1 (0.69) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL4554866 0.86 L3MBTL1 (0.69) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL13290614 0.86 L3MBTL1 (0.85) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL31632752 0.84 GNAI3 (0.65) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL22923584 0.84 GNAI3 (0.65) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL31632758 0.84 GNAI3 (0.65) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL17167936 0.84 GNAI3 (0.65) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL9762648 0.84 L3MBTL1 (0.88) L3MBTL1MEN1KMT2ATDP1GNAI3

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-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 US disclosed