SCHEMBL7609368

SCHEMBL7609368

C=C(C)C(=O)NCCN1CCN(CCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL7614337 0.90 USP2 (0.46) NPC1ALDH1A1KDM4ETDP1CYP2C19
SCHEMBL7616108 0.90 NPC1 (0.47) NPC1ALDH1A1KDM4ETDP1CYP2C19
SCHEMBL7615103 0.88 HDAC2 (0.49) NPC1ALDH1A1KDM4ETDP1CYP2C19
SCHEMBL6451721 0.86 NPC1 (0.63) NPC1ALDH1A1KDM4ETDP1MEN1
SCHEMBL6913902 0.84 NPC1 (0.66) NPC1ALDH1A1KDM4ETDP1MEN1
SCHEMBL9807352 0.82 NPC1 (0.44) NPC1ALDH1A1TDP1CYP2C19MEN1
SCHEMBL793341 0.81 TDP1 (0.63) KDM4ETDP1TSHR
SCHEMBL7617229 0.81 MEN1 (0.61) NPC1ALDH1A1KDM4ETDP1MEN1
SCHEMBL7616877 0.81 NPC1 (0.46) NPC1ALDH1A1KDM4ETDP1CYP2C19
SCHEMBL7620687 0.76 NPC1 (0.51) NPC1ALDH1A1KDM4ETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423487-B2 ACYCLIC OR HETEROCYCLIC AMINOALKYL (METH)ACRYLAMIDE POLYMERS OR POLYMERS OF (METH)ACRYLATED ALKYLENE OXIDE ADDUCTS OF PIPERAZINES OR MORPHOLINE AS VISCOSITY ENHANCERS FUJI PHOTO FILM CO., LTD. (JP) 2002-07-23 US disclosed
US-20020015927-A1 Thermally processed image recording material FUJIFILM CORPORATION (JP) 2002-02-07 US disclosed