SCHEMBL7784237

SCHEMBL7784237

O=C(NCc1ccccc1)C1C[C@H]1c1c[nH]cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.55
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.48
TSHR P16473 4/20 0.48
HSD17B10 Q99714 1/20 0.48
NAMPT P43490 1/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
F2 P00734 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8477270 1.00 MC4R (0.55) MC4RALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL7786422 0.99 MC4R (0.53) MC4RALDH1A1HPGDTSHRHSD17B10
SCHEMBL7787742 0.88 MC4R (0.52) MC4RALDH1A1HSD17B10SIGMAR1TLR2
SCHEMBL7787741 0.88 MC4R (0.52) MC4RALDH1A1HSD17B10SIGMAR1TLR2
Hydrochloric Acid SCHEMBL7787633 0.87 MC4R (0.51) MC4RALDH1A1HSD17B10SIGMAR1TLR2
Hydrochloric Acid SCHEMBL7787634 0.87 MC4R (0.51) MC4RALDH1A1HSD17B10SIGMAR1TLR2
SCHEMBL7786460 0.86 KMT2A (0.48) MC4RALDH1A1HPGDL3MBTL1SIGMAR1
SCHEMBL7779659 0.86 KMT2A (0.48) MC4RALDH1A1HPGDL3MBTL1SIGMAR1
SCHEMBL7779656 0.86 KMT2A (0.48) MC4RALDH1A1HPGDL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL8477512 0.85 KMT2A (0.47) MC4RALDH1A1HPGDL3MBTL1SIGMAR1

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