SCHEMBL11014645

SCHEMBL11014645

NC1CCN(c2ccc3cc(C(=O)O)cnc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.45
▸ HDAC3 O15379 5/20 0.42
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ KHK P50053 1/20 0.40
▸ SSTR2 P30874 1/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ HTR6 P50406 4/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL15681572 0.80 TERT (0.56) MGAMHDAC3HDAC1HDAC2ABL1
SCHEMBL8727055 0.78 HDAC3 (0.60) MGAMHDAC3HDAC1HDAC2ABL1
SCHEMBL21835803 0.78 CHEK1 (0.53) MGAMHDAC3HDAC1HDAC2ABL1
SCHEMBL10922894 0.78 MGAM (0.49) MGAMHDAC3HDAC1HDAC2KCNH2
SCHEMBL10619332 0.77 HPGDS (0.41) MGAMHDAC3HDAC1HDAC2ABL1
Hydrochloric Acid SCHEMBL15534244 0.77 HDAC3 (0.59) MGAMHDAC3HDAC1HDAC2ABL1
SCHEMBL10866344 0.76 HDAC3 (0.41) MGAMHDAC3HDAC1HDAC2ABL1
SCHEMBL209690 0.76 USP2 (0.61) KHKNAMPTDPP4USP2
SCHEMBL10461264 0.75 CHRNA7 (0.52) KHKHTR2BHTR6HTR1ADRD2
SCHEMBL2413103 0.74 POLB (0.54) KCNH2

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
EP-0131839-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-01-23 — — EP disclosed
Send feedback