SCHEMBL16882437

SCHEMBL16882437

C=C(F)c1cc(-c2ccc(N3CCN(CC4CCCN(C)C4)CC3)nn2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
IL1B P01584 9/20 0.38
NLRP3 Q96P20 3/20 0.38
SCD O00767 4/20 0.37
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 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
SCHEMBL13212627 0.90 CNR2 (0.43) CNR2IL1BNLRP3SCDRAB9A
SCHEMBL13212724 0.87 SCD (0.42) CNR2IL1BNLRP3SCDRAB9A
SCHEMBL13212824 0.86 IL1B (0.42) CNR2IL1BNLRP3SCD
SCHEMBL13212643 0.86 CNR2 (0.56) CNR2SCDRAB9AMEN1KMT2A
SCHEMBL1740036 0.84 LMNA (0.46) CNR2SCDRAB9AMEN1KMT2A
SCHEMBL13212838 0.79 CCR2 (0.43) CNR2IL1BSCDRAB9AMEN1
SCHEMBL13212639 0.78 CCR2 (0.42) IL1BNLRP3SCDRAB9ANPC1
SCHEMBL13212816 0.77 LMNA (0.42) RAB9ANPC1MAPTLMNATHRB
SCHEMBL13212613 0.76 CCR2 (0.50) RAB9ANPC1
SCHEMBL13212808 0.76 HTR6 (0.40) SCDRAB9AMEN1KMT2ANPC1

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-2155689-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-07-08 EP disclosed