SCHEMBL9529876

SCHEMBL9529876

CCCCCC(=O)Oc1c(C)nc(NC(CCCCC)c2ccccc2)nc1C.CCCCCC(Nc1nc(C)c(OC(=O)CCCCc2ccccc2)c(C)n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.38
▸ TACR3 P29371 2/20 0.38
▸ FAAH O00519 3/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL9527527 1.00 EPHX2 (0.38) EPHX2TACR3FAAHMETAP1TLR2
SCHEMBL9528466 0.94 TACR3 (0.41) EPHX2TACR3KDM4EMEN1RECQL
SCHEMBL9528223 0.87 TACR3 (0.41) TACR3FAAH
SCHEMBL9529882 0.84 METAP1 (0.40) EPHX2METAP1
SCHEMBL9528534 0.83 TACR3 (0.42) TACR3FAAH
SCHEMBL9527532 0.83 METAP1 (0.41) METAP1KDM4EMEN1RECQLKMT2A
SCHEMBL9528353 0.81 TACR3 (0.41) TACR3MEN1KMT2A
SCHEMBL9527611 0.81 TACR3 (0.41) TACR3KMT2A
SCHEMBL9527591 0.81 FAAH (0.42) TACR3FAAH
SCHEMBL9527595 0.81 NCEH1 (0.42) TACR3FAAH

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-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
Send feedback