SCHEMBL31346993

SCHEMBL31346993

COc1ccc(N)cc1N1CCC(F)(F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
NR4A1 P22736 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
DRD2 P14416 2/20 0.40
WHR1 P49842 2/20 0.40
GAK O14976 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
USP2 O75604 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
GAA P10253 4/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL31463572 0.90 ALDH1A1 (0.41) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL10036161 0.88 NR4A1 (0.50) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL26151424 0.82 ALDH1A1 (0.36) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL26151702 0.82 ADRB2 (0.36) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL14320628 0.82 MAPT (0.59) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL10156824 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL5701472 0.81 ALDH1A1 (0.57) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL1397389 0.80 DRD2 (0.60) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL6979317 0.78 MAPT (0.54) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL2779635 0.78 HTR3E (0.68) MAPTALDH1A1KDM4ELMNAHTR3E

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-119899178-A Aromatic amide derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2025-04-29 CN disclosed
WO-2024235073-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 浙江海正药业股份有限公司 2024-11-21 WO disclosed