SCHEMBL29995115

SCHEMBL29995115

O=C(c1cccnc1)N1CCC(F)(F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
CHRM2 P08172 1/20 0.60
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52

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
SCHEMBL15058202 1.00 POLB (0.60) POLBCHRM2LMNAALDH1A1PKM
SCHEMBL21800486 0.87 CHRM2 (0.59) POLBCHRM2LMNAALDH1A1PKM
SCHEMBL9763711 0.85 PKM (0.74) POLBLMNAALDH1A1PKMMAPK1
SCHEMBL22702046 0.84 POLB (0.56) POLBCHRM2ALDH1A1PKMMAPK1
Hydrochloric Acid SCHEMBL1596692 0.84 PKM (0.72) POLBLMNAALDH1A1PKMMAPK1
SCHEMBL6640482 0.82 PKM (0.66) POLBALDH1A1PKMMAPK1MEN1
SCHEMBL22702163 0.82 PKM (0.66) POLBLMNAALDH1A1PKMMAPK1
SCHEMBL29457007 0.82 PKM (0.66) POLBALDH1A1PKMMAPK1MEN1
SCHEMBL29944134 0.81 ALDH1A1 (0.67) POLBALDH1A1PKMMAPK1MEN1
SCHEMBL28324495 0.81 ALDH1A1 (0.67) POLBALDH1A1PKMMAPK1MEN1

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
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed