SCHEMBL24504337

SCHEMBL24504337

CC1(C)OB(c2ccc(C3CCN(C(=O)C4CC4)CC3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.42
HIF1A Q16665 1/20 0.41
HTR2B P41595 1/20 0.41
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DGAT1 O75907 2/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
QDPR P09417 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL12302215 0.95 HIF1A (0.44) NAMPTHIF1AUSP30ALDH1A1DGAT1
SCHEMBL586426 0.87 HIF1A (0.42) NAMPTHIF1AUSP30ROCK1QDPR
SCHEMBL15788273 0.87 QDPR (0.51) NAMPTHIF1AUSP30ALDH1A1DGAT1
SCHEMBL24504542 0.86 HIF1A (0.42) NAMPTHIF1AUSP30ALDH1A1ROCK1
SCHEMBL15615608 0.84 HIF1A (0.47) NAMPTHIF1AUSP30DGAT1QDPR
SCHEMBL15656742 0.82 TDP1 (0.58) NAMPTALDH1A1MEN1KMT2A
SCHEMBL18318497 0.81 LMNA (0.48) NAMPTKMT2A
SCHEMBL180435 0.81 USP30 (0.56) NAMPTUSP30ALDH1A1
SCHEMBL15615620 0.81 GPR119 (0.47) NAMPTHIF1AUSP30
SCHEMBL578423 0.79 QDPR (0.44) HIF1AQDPRLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122913-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-16 WO disclosed
WO-2022122916-A1 SUBSTITUTED PYRAZOLYL PIPERIDINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-16 WO disclosed
EP-4011874-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS Bayer Aktiengesellschaft (DE) 2022-06-15 EP disclosed