SCHEMBL9686542

SCHEMBL9686542

CCOC(=O)N1CCC(Nc2nc3cccnc3n2Cc2ccc(C(C)C)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.50
NOS1 P29475 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NOS3 P29474 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL9687169 0.92 NOS2 (0.52) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9687543 0.92 NOS2 (0.52) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9385026 0.91 NOS2 (0.51) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL27325764 0.90 ENPP2 (0.38) NOS2ALDH1A1HPGDTSHRLMNA
SCHEMBL9630539 0.89 NOS2 (0.48) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9386799 0.88 NOS2 (0.48) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL8565978 0.87 NOS2 (0.51) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9630349 0.87 NOS2 (0.46) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9385081 0.86 NOS2 (0.52) NOS2NOS1ALDH1A1MEN1KMT2A
SCHEMBL9686522 0.86 NOS2 (0.51) NOS2NOS1ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed