SCHEMBL21799449

SCHEMBL21799449

CC(C)(C)CCNCc1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MC4R P32245 2/20 0.39
MC5R P33032 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
CXCR4 P61073 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
SCHEMBL21799653 0.86 OPRM1 (0.40) CHRM2SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL21799902 0.83 PNMT (0.41) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799942 0.81 CYP1A2 (0.49) CHRM2NOS1NOS2ALDH1A1NOS3
SCHEMBL30219100 0.80 MC4R (0.58) CHRM2MC4RMC5RPNMTENPP2
SCHEMBL17282162 0.80 SLC2A4 (0.53) CHRM2CYP3A4NFKB1ENPP2CYP1A2
SCHEMBL13965842 0.80 CHRM2 (0.65) CHRM2CYP3A4PNMTCYP1A2CYP2D6
SCHEMBL30186883 0.80 LOXL2 (0.52) CHRM2NOS1NOS2ALDH1A1NOS3
SCHEMBL834002 0.80 LOXL2 (0.52) CHRM2NOS1NOS2ALDH1A1NOS3
SCHEMBL30192674 0.79 MEN1 (0.65) CHRM2ALDH1A1MC4RMC5RCYP1A2
SCHEMBL30192676 0.79 MEN1 (0.65) CHRM2ALDH1A1MC4RMC5RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed