SCHEMBL7784701

SCHEMBL7784701

O=C(Nc1ccccc1)C1C[C@H]1c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
DEGS1 O15121 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 3/20 0.43
SCN3A Q9NY46 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 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
SCHEMBL7784699 1.00 NAMPT (0.52) NAMPTSMN1; SMN2GAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL7786748 0.99 NAMPT (0.51) NAMPTSMN1; SMN2GAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL7786749 0.99 NAMPT (0.51) NAMPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL7784237 0.81 MC4R (0.55) NAMPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL8477270 0.81 MC4R (0.55) NAMPTSMN1; SMN2GAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL7786422 0.80 MC4R (0.53) NAMPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL7787741 0.79 MC4R (0.52) GAAALDH1A1POLBKMT2A
SCHEMBL7787742 0.79 MC4R (0.52) GAAALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL7787633 0.78 MC4R (0.51) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL4773141 0.78 FFAR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837679-B1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 2001-10-24 EP disclosed
US-6008240-A AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-12-28 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed