SCHEMBL18902007

SCHEMBL18902007

C[C@H](O)Cc1cnc(N2CCN(C=O)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ACACB O00763 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
PANK3 Q9H999 1/20 0.32
CHRNA7 P36544 1/20 0.32
CACNA1H O95180 1/20 0.32
TSHR P16473 3/20 0.32
SLC6A9 P48067 2/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18902056 0.81 KDM4E (0.35) TRPV1KDM4ELMNAGAAGPR55
SCHEMBL18901965 0.81 LMNA (0.36) LMNA
SCHEMBL18902111 0.78 GPR119 (0.48)
SCHEMBL20124509 0.74 ACACB (0.36) TRPV1KDM4EACACB
SCHEMBL18901952 0.72 TRPV1 (0.62) TRPV1
SCHEMBL14406328 0.71 TRPV1 (0.65) TRPV1
SCHEMBL14935790 0.70 TRPV1 (0.35) TRPV1LMNAKCNH2
SCHEMBL12074542 0.70 TRPV1 (0.35) TRPV1LMNAKCNH2
SCHEMBL12074068 0.70 TRPV1 (0.35) TRPV1LMNAKCNH2
SCHEMBL12074313 0.69 GPR119 (0.46) TRPV1

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-3173411-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF Purdue Pharma L.P. (US) 2017-05-31 EP disclosed