SCHEMBL7317436

SCHEMBL7317436

CCCCN(CCCC)C(CC)Oc1ccc(-c2cn3ccc(C)nc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.45
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7318572 0.84 RAB9A (0.57) HRH3KDM4ENPC1ALDH1A1GLA
Hydrochloric Acid SCHEMBL7314288 0.84 RAB9A (0.56) HRH3KDM4ENPC1ALDH1A1GLA
SCHEMBL10569275 0.82 HRH3 (0.68) HRH3KDM4ENPC1ALDH1A1POLB
SCHEMBL7678918 0.81 HRH3 (0.66) HRH3KDM4ENPC1ALDH1A1RAB9A
SCHEMBL7684201 0.80 HRH3 (0.67) HRH3KDM4ENPC1ALDH1A1GAA
SCHEMBL7681802 0.80 HRH3 (0.67) HRH3KDM4ENPC1ALDH1A1POLB
SCHEMBL7317440 0.80 HRH3 (0.70) HRH3
SCHEMBL7319647 0.79 SMN1; SMN2 (0.56) HRH3KDM4ENPC1POLBRAB9A
Hydrochloric Acid SCHEMBL7318014 0.79 HRH3 (0.69) HRH3
Hydrochloric Acid SCHEMBL7307729 0.78 NPC1 (0.55) HRH3NPC1POLBRAB9ASMN1; SMN2

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-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed