SCHEMBL29190382

SCHEMBL29190382

CC(C)(Cc1c[nH]c2ccc(Br)nc12)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.40
▸ MTNR1B P49286 4/20 0.40
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ SSTR4 P31391 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CCKBR P32239 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL31228282 0.78 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL25896801 0.74 MTNR1A (0.49) MTNR1AMTNR1BCYP2D6CYP1A2CYP3A4
SCHEMBL5346251 0.72 MTNR1A (0.73) MTNR1AMTNR1BCYP2D6CYP2C19CYP1A2
SCHEMBL4377009 0.70 MTNR1A (0.41) MTNR1AMTNR1BCYP2D6CYP2C19CYP1A2
SCHEMBL26658318 0.70 STING1 (0.34) MTNR1AMTNR1BADORA2AHTR1F
SCHEMBL30390687 0.70 STING1 (0.34) MTNR1AMTNR1BADORA2AHTR1F
SCHEMBL28918253 0.68 HTR1D (0.42) MTNR1AMTNR1BCYP3A4TSHRKDM4E
SCHEMBL31228568 0.68 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL23195348 0.68 F7 (0.44) CYP1A2ADORA2AKDM4EHPGD
SCHEMBL29592699 0.68 F7 (0.44) CYP1A2ADORA2AKDM4EHPGD

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-116261452-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-06-13 — — CN disclosed
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