SCHEMBL11812044

SCHEMBL11812044

CCN(CC)CC(=O)c1ccc2c(c1)c1cc(C(=O)CN(CC)CC)ccc1n2CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ LMNA P02545 3/20 0.46
▸ NPY5R Q15761 2/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 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
Hydrochloric Acid SCHEMBL11817152 0.98 KDM4E (0.50) KDM4EHPGDHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL11845962 0.84 NPY5R (0.51) KDM4EHPGDHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL11849802 0.82 KDM4E (0.46) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL11810127 0.80 KDM4E (0.55) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL12608677 0.79 HPGD (0.47) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL12608676 0.78 HPGD (0.49) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL11805763 0.77 CNR2 (0.53) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL8922345 0.77 HPGD (0.65) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL29540056 0.77 KDM4E (0.65) KDM4EHPGDHTTALDH1A1MAPT
SCHEMBL29629312 0.77 HPGD (0.65) KDM4EHPGDHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3946021-A Bis-basic ketones of carbazole RICHARDSON-MERRELL INC. (US) 1976-03-23 — — US disclosed
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