SCHEMBL6803418

SCHEMBL6803418

Fc1ccc(F)c(CN2CC3C[N]CC3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.37
RIPK1 Q13546 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPR6 P46095 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL6359494 0.88 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1CYP2D6GPR6
SCHEMBL3964348 0.76 KDM4E (0.51) RORCKDM4ESMN1; SMN2PDE2AALDH1A1
SCHEMBL6796135 0.73 KDM4E (0.71) KDM4ESMN1; SMN2PDE2AALDH1A1SIGMAR1
SCHEMBL6356329 0.73 DRD4 (0.46) SMN1; SMN2PDE2AALDH1A1SIGMAR1
SCHEMBL21794075 0.71 KDM4E (0.74) KDM4ESMN1; SMN2PDE2AALDH1A1DPP4
SCHEMBL30596583 0.71 KDM4E (0.74) KDM4ESMN1; SMN2PDE2AALDH1A1DPP4
SCHEMBL23179558 0.70 ACHE (0.51) KDM4ESMN1; SMN2PDE2AALDH1A1DRD2
SCHEMBL6947670 0.70 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1
SCHEMBL8109203 0.70 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1
SCHEMBL18712999 0.69 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1

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
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed