SCHEMBL14453896

SCHEMBL14453896

CC(C)N1CCN(C(=O)CC2CCN(C(C)C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.45
▸ KCNH2 Q12809 4/20 0.45
▸ CYP2D6 P10635 2/20 0.43
▸ NAMPT P43490 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL25443839 0.92 HRH3 (0.48) HRH3KCNH2CYP2D6NAMPTALDH1A1
SCHEMBL18390493 0.86 NAMPT (0.51) HRH3KCNH2CYP2D6NAMPTALDH1A1
SCHEMBL12026454 0.84 NAMPT (0.43) HRH3KCNH2CYP2D6NAMPTTPSAB1
SCHEMBL24671513 0.84 ALDH1A1 (0.50) HRH3KCNH2CYP2D6NAMPTALDH1A1
SCHEMBL10232843 0.80 HRH3 (0.39) HRH3KCNH2ALDH1A1
SCHEMBL17190311 0.80 HRH3 (0.36) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL18704939 0.79 HRH3 (0.47) HRH3KCNH2CYP2D6NAMPT
SCHEMBL25443838 0.79 NAMPT (0.42) HRH3KCNH2CYP2D6NAMPTALDH1A1
SCHEMBL1913158 0.79 L3MBTL1 (0.42) HRH3NAMPTKDM4EL3MBTL1
SCHEMBL20088227 0.78 HRH3 (0.36) HRH3KCNH2CYP2D6

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
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 — — US disclosed
US-7238694-B2 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS, INC. (US) 2007-07-03 — — US disclosed
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