SCHEMBL16767657

SCHEMBL16767657

C=CCC=CCC1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
HRH4 Q9H3N8 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 1/20 0.35
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
EED O75530 4/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
EPHX1 P07099 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31

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
SCHEMBL606458 0.83
Hydrochloric Acid SCHEMBL31599906 0.81 HRH3 (0.39) HRH3HRH4CHRM2CHRM3KMT2A
SCHEMBL9112176 0.79 HRH3 (0.37) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL27267360 0.78 HRH3 (0.36) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL21400297 0.77 HRH3 (0.33) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL16767772 0.77 CHRM1 (0.35) HRH3HRH4CHRM3
SCHEMBL11923025 0.76 KMT2A (0.37) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL9112820 0.73 HRH3 (0.35) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL25709836 0.72 CPN1 (0.33) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL30759010 0.72 HRH3 (0.41) HRH3HRH4CHRM2CHRM3KMT2A

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-20150158020-A1 SYNTHESIS OF ZEOLITES USING AN ORGANOAMMONIUM COMPOUND UOP LLC 2015-06-11 US disclosed