SCHEMBL31708110

SCHEMBL31708110

C#C[C@](C)(O)c1ccnc(OC)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.33
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ PDPK1 O15530 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
SCHEMBL24920392 0.81 CCR1 (0.35) FFAR1CCR1CCR5CCR8PDPK1
SCHEMBL31708103 0.78 KDM4E (0.33) —
SCHEMBL16996827 0.77 HRH4 (0.39) FFAR1CCR1CCR5CCR8MAPK9
SCHEMBL4883101 0.75 CCR1 (0.36) FFAR1CCR1CCR5CCR8MAPK9
SCHEMBL31708020 0.74 HRH4 (0.33) —
SCHEMBL28955970 0.74 MALT1 (0.36) —
SCHEMBL30282314 0.74 MALT1 (0.36) —
SCHEMBL31708065 0.74 LMNA (0.42) —
SCHEMBL28955971 0.74 MALT1 (0.36) —
SCHEMBL28956217 0.74 MALT1 (0.36) —

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
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 — — EP disclosed
Send feedback