SCHEMBL6476748

SCHEMBL6476748

COCCCNC(=O)CCCCCOc1ccc2nc(-c3ccc(C)cc3)n(CCCOC)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PIN1 Q13526 3/20 0.43
AVPR1B P47901 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
PDE2A O00408 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6484591 0.95 MTNR1A (0.49) MAPTMEN1HPGDKMT2AMTNR1A
SCHEMBL6474865 0.93 GRIN2B (0.45) MAPTPOLBMEN1HPGDKMT2A
SCHEMBL6475812 0.92 PIN1 (0.54) MAPTMEN1HPGDKMT2AMTNR1A
SCHEMBL6484584 0.91 HDAC1 (0.45) MAPTPOLBMEN1HPGDKMT2A
SCHEMBL6475524 0.91 HDAC1 (0.47) MAPTMEN1HPGDKMT2AMTNR1A
SCHEMBL6476675 0.91 PIN1 (0.46) MAPTMEN1HPGDKMT2AMTNR1A
SCHEMBL6476045 0.91 ABL1 (0.46) MAPTPOLBMEN1HPGDKMT2A
SCHEMBL6481696 0.90 SMN1; SMN2 (0.45) MAPTPOLBMEN1HPGDKMT2A
SCHEMBL6485249 0.90 PDE3B (0.50) KDM4EPIN1AVPR1BALDH1A1PDE2A
SCHEMBL6483724 0.89 DPP4 (0.48) KDM4EPIN1ALDH1A1PDE2APDE3B

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
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed