SCHEMBL9940949

SCHEMBL9940949

Clc1ccc2c(c1)n[c]n2CCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
QPCT Q16769 1/20 0.45
AOC2 O75106 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL27404979 0.73 CYP19A1 (0.44) QPCTMAPT
SCHEMBL9940787 0.72 NUDT1 (0.48) QPCTAOC2
SCHEMBL11430315 0.70 MAPT (0.39) ALDH1A1MAPTLMNA
SCHEMBL11076935 0.68 LMNA (0.53) ALDH1A1TP53MAPTLMNA
SCHEMBL9777196 0.67 TBXAS1 (0.85)
SCHEMBL20570009 0.66 CYP19A1 (0.71) ALDH1A1TP53
SCHEMBL15654143 0.66 GRM2 (0.37)
SCHEMBL15894133 0.66 KDM4E (0.76) ALDH1A1TP53LMNA
SCHEMBL10659297 0.66 CYP1A2 (0.50)
SCHEMBL11272924 0.66 MAPT (0.62) ALDH1A1MAPTLMNA

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-2651903-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS Janssen R&D Ireland (IE) 2013-10-23 EP disclosed
WO-2012080446-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed