SCHEMBL7779656

SCHEMBL7779656

O=C(NCCCc1ccccc1)[C@H]1C[C@@H]1c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MC4R P32245 2/20 0.46
MEN1 O00255 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 2/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 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
SCHEMBL7779659 1.00 KMT2A (0.48) KMT2AALDH1A1MC4RMEN1SIGMAR1
SCHEMBL7786460 1.00 KMT2A (0.48) KMT2AALDH1A1MC4RMEN1SIGMAR1
Hydrochloric Acid SCHEMBL8477512 0.99 KMT2A (0.47) KMT2AALDH1A1MC4RMEN1SIGMAR1
SCHEMBL7787742 0.93 MC4R (0.52) KMT2AALDH1A1MC4RSIGMAR1TAAR1
SCHEMBL7787741 0.93 MC4R (0.52) KMT2AALDH1A1MC4RSIGMAR1TAAR1
Hydrochloric Acid SCHEMBL7787634 0.92 MC4R (0.51) KMT2AALDH1A1MC4RMEN1SIGMAR1
Hydrochloric Acid SCHEMBL7787633 0.92 MC4R (0.51) KMT2AALDH1A1MC4RMEN1SIGMAR1
SCHEMBL8477270 0.86 MC4R (0.55) KMT2AALDH1A1MC4RMEN1SIGMAR1
SCHEMBL7784237 0.86 MC4R (0.55) KMT2AALDH1A1MC4RMEN1SIGMAR1
Hydrochloric Acid SCHEMBL7786422 0.85 MC4R (0.53) KMT2AALDH1A1MC4RMEN1SIGMAR1

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 2 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