SCHEMBL29499487

SCHEMBL29499487

O=C(NCc1ccc(C(F)(F)F)cn1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPY5R Q15761 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARD Q03181 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL21640519 0.85 KDM1A (0.44) KDM4ENPY5RKDM1AMAOAMAOB
SCHEMBL22614345 0.84 NPY5R (0.48) NPY5RKDM1AMAOAMAOBTSHR
SCHEMBL22614348 0.84 NPY5R (0.48) NPY5RKDM1AMAOAMAOBTSHR
SCHEMBL13393188 0.82 KDM1A (0.43) KDM4ENPY5RKDM1AMAOAMAOB
SCHEMBL30524731 0.81 HTR2C (0.54) KDM4EHDAC1KDM1AMAOAMAOB
SCHEMBL27470365 0.81 NPY5R (0.46) KDM4ENPC1RAB9ANPY5RKDM1A
SCHEMBL5534711 0.80 HDAC6 (0.66) HPGDHDAC6HDAC1HDAC8HDAC5
SCHEMBL29409097 0.79 NPY5R (0.48) NPY5RKDM1AMAOBALDH1A1KMT2A
SCHEMBL28719953 0.79 NPY5R (0.48) NPY5RKDM1AMAOBALDH1A1KMT2A
SCHEMBL28719954 0.79 NPY5R (0.48) NPY5RKDM1AMAOBALDH1A1KMT2A

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
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 CN disclosed