SCHEMBL7615098

SCHEMBL7615098

C=C(C)C(=O)NC(C)N1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
PAOX Q6QHF9 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 2/20 0.31
MC4R P32245 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.31
HTR1A P08908 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL9807354 0.81 ALDH1A1 (0.36) TGFBR1CYP1A2TSHRALDH1A1CYP2C19
SCHEMBL6259132 0.81 CYP1A2 (0.41) CYP1A2TDP1KDM4ETSHRALDH1A1
SCHEMBL1070950 0.81 SMN1; SMN2 (0.42) TGFBR1KDM4ETSHRALDH1A1KMT2A
SCHEMBL733022 0.81 CHRM5 (0.40) TGFBR1CYP1A2RXFP1SIGMAR1
SCHEMBL20081800 0.75 TSHR (0.48) CYP1A2TDP1KDM4ETSHRALDH1A1
SCHEMBL27897257 0.69 CA12 (0.53) CYP1A2TDP1CA12CA2CA9
SCHEMBL5529837 0.68 CYP1A2 (0.36) CYP1A2TDP1KDM4ETSHRALDH1A1
SCHEMBL24333197 0.67 TGFBR1 (0.50) TGFBR1TDP1KDM4ETSHRALDH1A1
SCHEMBL14951 0.67
SCHEMBL8771130 0.67 LMNA (0.43) TGFBR1CYP1A2TSHRCA12CA2

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