SCHEMBL7784095

SCHEMBL7784095

O=C(NCC1CCCCC1)C1C[C@H]1c1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
GRM4 Q14833 1/20 0.41
ROCK2 O75116 1/20 0.39
P2RX7 Q99572 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL7779668 1.00 EPHX1 (0.43) EPHX1GRM4ROCK2P2RX7HDAC6
SCHEMBL8846857 1.00 EPHX1 (0.43) EPHX1GRM4ROCK2P2RX7HDAC6
Hydrochloric Acid SCHEMBL7784703 0.99 EPHX1 (0.42) EPHX1GRM4ROCK2P2RX7HDAC6
Hydrochloric Acid SCHEMBL7784705 0.99 EPHX1 (0.42) EPHX1GRM4ROCK2P2RX7HDAC6
SCHEMBL8398521 0.95 GRM4 (0.39) EPHX1GRM4ROCK2SIGMAR1
Hydrochloric Acid SCHEMBL7784066 0.94 GRM4 (0.38) EPHX1GRM4ROCK2SIGMAR1
Hydrochloric Acid SCHEMBL7784071 0.94 GRM4 (0.38) EPHX1GRM4ROCK2SIGMAR1
SCHEMBL7779583 0.88 SIGMAR1 (0.39) EPHX1KMT2AHRH4HRH3SIGMAR1
SCHEMBL8395086 0.88 SIGMAR1 (0.39) EPHX1KMT2AHRH4HRH3SIGMAR1
Hydrochloric Acid SCHEMBL7784625 0.87 SIGMAR1 (0.38) EPHX1KMT2AHRH4HRH3SIGMAR1

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