SCHEMBL28918253

SCHEMBL28918253

CC(C)(Cc1c[nH]c2ccc(C(F)F)cc12)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ SPR P35270 1/20 0.40
▸ TACR1 P25103 7/20 0.40
▸ BLM P54132 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR7 P34969 1/20 0.40

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
SCHEMBL4377009 0.81 MTNR1A (0.41) HTR1DHTR1BTSHRSPRTACR1
SCHEMBL17066884 0.76 HTR1D (0.55) HTR1DHTR1BHTR1ANFKB1HTR2A
SCHEMBL29026421 0.75 GSK3B (0.42) —
SCHEMBL4500910 0.72 MTNR1A (0.62) TSHRCYP3A4MAPTALOX15HTR2A
SCHEMBL26086383 0.71 STING1 (0.44) TSHRKDM4E
SCHEMBL18854105 0.70 HTR1D (0.51) HTR1DHTR1BHTR1ANFKB1HTR2A
SCHEMBL20921203 0.69 TSHR (0.64) HTR1DHTR1BTSHRSPRBLM
SCHEMBL29190382 0.68 MTNR1A (0.40) TSHRNPSR1KDM4EALDH1A1LMNA
SCHEMBL14555321 0.68 ATM (0.47) HTR1DHTR1BHTR1ANFKB1HTR2A
SCHEMBL7449324 0.68 HTR2A (0.70) HTR1DHTR1BTSHRBLMNPSR1

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-115348957-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-15 — — CN disclosed
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