SCHEMBL16767772

SCHEMBL16767772

C=CCC=CCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GBA1 P04062 1/20 0.34
HRH3 Q9Y5N1 2/20 0.31
HRH4 Q9H3N8 1/20 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
SCHEMBL669814 0.80
Hydrochloric Acid SCHEMBL17493348 0.78 GBA1 (0.34) GBA1HRH3HRH4
SCHEMBL16767657 0.77 HRH3 (0.37) CHRM3HRH3HRH4
SCHEMBL7586193 0.71 TSHR (0.35) CHRM1CHRM3GBA1
SCHEMBL4019383 0.71 CHRM1 (0.35) CHRM1CHRM3GBA1
SCHEMBL25610380 0.71 NOS2 (0.35) CHRM1CHRM3GBA1
SCHEMBL7698450 0.71 TSHR (0.35) CHRM1CHRM3GBA1
SCHEMBL10154182 0.71 NOS2 (0.35) CHRM1CHRM3GBA1
SCHEMBL728990 0.71 TSHR (0.35) CHRM1CHRM3GBA1
SCHEMBL19749989 0.69 ALDH1A1 (0.36)

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