SCHEMBL7218603

SCHEMBL7218603

Cc1c(C(=O)N[C@H](C)Cc2ccccc2)ccn1CCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.61
TRPV4 Q9HBA0 1/20 0.48
TACR2 P21452 4/20 0.47
ACACB O00763 2/20 0.45
CNR1 P21554 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CAPN1 P07384 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7223448 0.86 CNR2 (0.65) CNR2TRPV4TACR2CNR1CAPN1
SCHEMBL7218551 0.82 CNR2 (0.60) CNR2TRPV4TACR2ACACBCNR1
SCHEMBL7218747 0.81 CNR2 (0.47) CNR2TRPV4TACR2CNR1CAPN1
Morforex SCHEMBL1818022 0.71 SIGMAR1 (0.54) CNR1
SCHEMBL24863052 0.70 ACACB (0.63) ACACBNPC1RAB9AALDH1A1
SCHEMBL7217580 0.69 CNR2 (0.69) CNR2TRPV4TACR2CNR1
SCHEMBL13164066 0.69 KDM4E (0.61) NPC1ALDH1A1
SCHEMBL24862898 0.69 NPC1 (0.63) NPC1RAB9A
SCHEMBL24609344 0.66 NPC1 (0.79) NPC1RAB9AALDH1A1
SCHEMBL2543698 0.66 NPC1 (0.79) NPC1RAB9AALDH1A1

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed