SCHEMBL24712848

SCHEMBL24712848

CCCC(=O)N1CCC(c2ccc(C(=O)C(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.55
▸ MCHR1 Q99705 5/20 0.48
▸ SLC9A1 P19634 1/20 0.44
▸ CTSC P53634 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CCR1 P32246 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 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
SCHEMBL19188023 0.82 NAMPT (0.60) NAMPTMCHR1CTSCPDE4BALDH1A1
SCHEMBL24724942 0.81 ESRRG (0.45) CYP2C9CCR1ALDH1A1LMNAMAPT
SCHEMBL10291524 0.81 NAMPT (0.59) NAMPTMCHR1CCR1ALDH1A1LMNA
SCHEMBL4198757 0.80 NAMPT (0.65) NAMPTADAMTS5ALDH1A1LMNAMAPT
SCHEMBL6245254 0.79 NAMPT (0.64) NAMPTADAMTS5ALDH1A1LMNAMAPT
SCHEMBL21565632 0.78 CYP2C9 (0.50) CYP2C9CCR1ALDH1A1LMNAMAPT
SCHEMBL24933097 0.77 NAMPT (0.49) NAMPTCYP2C9ALDH1A1LMNAKCNH2
SCHEMBL25443738 0.74 ADAMTS5 (0.43) ADAMTS5CCR1KCNH2HRH3
SCHEMBL11445595 0.74 MCHR1 (0.55) NAMPTMCHR1ALDH1A1LMNA
SCHEMBL9667339 0.74 HDAC8 (0.54) NAMPTCYP2C9ALDH1A1MAPT

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
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 — — WO disclosed
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