SCHEMBL6194878

SCHEMBL6194878

CN(Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1)C[C@H](O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.77
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ AOC3 Q16853 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ RORC P51449 1/20 0.39
▸ PYCR1 P32322 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ AKR1C3 P42330 4/20 0.37
▸ AKR1C2 P52895 4/20 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
SCHEMBL5963869 0.87 CNR2 (1.00) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5963872 0.87 CNR2 (1.00) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5964304 0.87 CNR2 (1.00) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6192436 0.83 CNR2 (0.72) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5964161 0.83 CNR2 (0.72) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5964266 0.82 CNR2 (0.71) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5964005 0.81 CNR2 (0.57) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6212084 0.81 MEN1 (0.59) CNR2MEN1KMT2AALDH1A1
SCHEMBL5964676 0.78 CNR2 (0.83) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5964068 0.77 CNR2 (0.67) CNR2KDM4EMEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP claimed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO claimed
Send feedback