Sugi Predict

Sugi Predict / Compounds / SCHEMBL3943876

SCHEMBL3943876

SCHEMBL3943876

O=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12.O=C(NCCc1c(Cl)cccc1Cl)c1c(Cl)ccc2nc(N3CCC(C(=O)O)CC3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.69
▸ PTGDR Q13258 1/20 0.43
▸ HTR2C P28335 1/20 0.38
▸ MCHR2 Q969V1 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ USP25 Q9UHP3 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MC1R Q01726 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
SCHEMBL5123982 0.83 P2RX7 (1.00) P2RX7PTGDRHTR2CMCHR2MCHR1
Hydrochloric Acid SCHEMBL5128207 0.82 P2RX7 (0.98) P2RX7PTGDRHTR2CMCHR2MCHR1
SCHEMBL5128095 0.82 P2RX7 (0.54) P2RX7
SCHEMBL5128004 0.78 P2RX7 (0.62) P2RX7PTGDR
SCHEMBL5131712 0.77 P2RX7 (0.53) P2RX7PTGDR
SCHEMBL5125437 0.77 P2RX7 (0.80) P2RX7HTR2CMCHR2MCHR1
SCHEMBL27634467 0.77 P2RX7 (0.80) P2RX7HTR2CMCHR2MCHR1
Hydrochloric Acid SCHEMBL5131649 0.76 P2RX7 (0.78) P2RX7HTR2CMCHR2MCHR1
SCHEMBL5122845 0.76 P2RX7 (0.53) P2RX7
SCHEMBL5128753 0.75 P2RX7 (0.54) P2RX7

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
WO-2009019503-A2 P2X7 ANTAGONISTS FOR USE IN THE TREATMENT OF MOOD DISORDERS ASTRAZENECA AB (SE) 2009-02-12 — — WO disclosed