SCHEMBL29499461

SCHEMBL29499461

O=C(NCc1ccc(C(F)(F)F)cn1)C12CCC(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BACE1 P56817 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE7B Q9NP56 1/20 0.40
P2RX7 Q99572 3/20 0.39
GNRHR P30968 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPY5R Q15761 1/20 0.39
TRPA1 O75762 1/20 0.39
GLS O94925 1/20 0.38
HCRTR1 O43613 1/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL22614051 0.86 KMT2A (0.43) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL29408862 0.86 KMT2A (0.43) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL22614357 0.82 HSD11B1 (0.42) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL29409182 0.81 POLB (0.46) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL22613977 0.81 POLB (0.46) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL27470804 0.81 KDM1A (0.40) KDM1AMAOAMAOBKMT2AGNRHR
SCHEMBL29408993 0.77 HSD11B1 (0.42) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL30971615 0.76 KDM1A (0.43) KDM1AMAOAMAOBBACE1KMT2A
SCHEMBL29499487 0.75 HPGD (0.47) KDM1AMAOAMAOBKMT2ANPC1
SCHEMBL14562254 0.74 KMT2A (0.49) KDM1AMAOAMAOBBACE1KMT2A

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