SCHEMBL11277901

SCHEMBL11277901

CCN1CCCCC1Oc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4322788 0.84 MEN1 (0.39) NPC1HPGDRAB9A
SCHEMBL8637445 0.80 HRH1 (0.46) HRH3
SCHEMBL7246918 0.79 CARM1 (0.40) RAB9A
Hydrochloric Acid SCHEMBL14969678 0.77 HRH3 (0.44) HRH3
SCHEMBL8635985 0.77 CHRNA7 (0.47)
SCHEMBL7759795 0.76 HRH3 (0.39) HRH3
Hydrochloric Acid SCHEMBL5708512 0.75 HRH3 (0.39) HRH3
SCHEMBL8641764 0.75 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL11072292 0.75 ALDH1A1 (0.43) NPC1HPGDRAB9A
SCHEMBL8147094 0.74 ATM (0.44) HRH3

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-4327214-A Substituted alkylammonium salts, the manufacture thereof, the use thereof for regulating plant growth, and agents therefor BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed