SCHEMBL7820409

SCHEMBL7820409

CCCCN1CCCN(c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.67
AURKB Q96GD4 2/20 0.67
ACHE P22303 1/20 0.51
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
GNRHR P30968 5/20 0.47
MGAM O43451 5/20 0.47
GAA P10253 5/20 0.47
SI P14410 5/20 0.47
MGAM2 Q2M2H8 5/20 0.47
PARP1 P09874 1/20 0.43
HPSE Q9Y251 1/20 0.43

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
SCHEMBL7763616 0.90 ACHE (0.64) AURKAAURKBACHEGNRHRMGAM
SCHEMBL3582845 0.85 AURKB (0.93) AURKAAURKBPARP1
SCHEMBL7765849 0.84 MGAM (0.54) AURKAAURKBACHEMGAMGAA
SCHEMBL7761994 0.84 CYP1A2 (0.52) AURKAAURKBACHEDRD2DRD3
SCHEMBL7763605 0.83 AURKA (0.47) AURKAAURKBDRD2DRD3GNRHR
SCHEMBL6583299 0.83 AURKB (0.71) AURKAAURKBACHEDRD2DRD3
SCHEMBL7822007 0.81 MGAM (0.59) AURKAAURKBACHEMGAMGAA
SCHEMBL3574435 0.80 AURKB (1.00) AURKAAURKBPARP1
SCHEMBL7759238 0.79 MGAM (0.51) AURKAAURKBACHEMGAMGAA
SCHEMBL7819660 0.79 AURKB (0.71) AURKAAURKBACHEDRD2DRD3

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-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed