SCHEMBL31319716

SCHEMBL31319716

Cc1ccc(-c2c(Cl)ccc3cc[nH]c23)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ CCR8 P51685 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ AHR P35869 1/20 0.42
▸ METAP2 P50579 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SMO Q99835 3/20 0.33
▸ PTGES O14684 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ AR P10275 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL31319703 0.75 CCR1 (0.46) CCR1CCR5CCR8AHRTNF
SCHEMBL30752361 0.73 AHR (0.39) AHRTNFRIPK1DYRK1A
SCHEMBL31319726 0.73 AHR (0.39) HDAC6AHRMETAP2TNFRIPK1
SCHEMBL31438282 0.71 AHR (0.47) AHRTNFRIPK1GRM5AXL
SCHEMBL31319759 0.71 CCR1 (0.49) CCR1CCR5CCR8AHRNOS3
SCHEMBL31319712 0.70 AHR (0.42) AHRTNFRIPK1GRM5AXL
SCHEMBL17659438 0.69 AHR (0.52) CCR8AHRTNFRIPK1AR
SCHEMBL31438285 0.67 AHR (0.50) AHRTNFRIPK1CYP2A6AXL
SCHEMBL31438254 0.67 AHR (0.46) AHRTNFRIPK1CYP3A4LMNA
SCHEMBL31438268 0.67 AHR (0.39) AHRTNFRIPK1AXLPRKCI

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-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 — — WO disclosed
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