SCHEMBL300888

SCHEMBL300888

O=C(CN1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1)CN1CC2CCC(C1)N2c1ncc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 5/20 0.35
DRD2 P14416 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33

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
SCHEMBL185941 0.91 TRPV1 (0.40) TRPV1LIMK1LIMK2
SCHEMBL186106 0.87 TRPV1 (0.39) TRPV1SIGMAR1LIMK1LIMK2
SCHEMBL18576998 0.86 TRPV1 (0.40) TRPV1LIMK1LIMK2
SCHEMBL186091 0.86 GRIN2B (0.39) TRPV1ATM
SCHEMBL186996 0.84 TRPV1 (0.39) TRPV1LIMK1LIMK2
SCHEMBL300615 0.83 TRPV1 (0.40) TRPV1LIMK1LIMK2
SCHEMBL187250 0.83 TRPV1 (0.41) TRPV1LMNAMAPTLIMK1LIMK2
SCHEMBL185519 0.82 TRPV1 (0.39) TRPV1CCNT1CDK9LIMK1LIMK2
SCHEMBL300746 0.82 TRPV1 (0.37) TRPV1ATMLIMK1LIMK2
SCHEMBL1980874 0.81 ATM (0.39) TRPV1ATML3MBTL1CCNT1CDK9

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-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP claimed