SCHEMBL21799653

SCHEMBL21799653

CC(C)(C)CCNCc1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
TPSAB1 Q15661 3/20 0.40
CHRM2 P08172 3/20 0.40
OPRD1 P41143 1/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PDCD1 Q15116 1/20 0.37

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
SCHEMBL21799449 0.86 CHRM2 (0.40) CHRM2MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL19938024 0.85 HTR2A (0.46) OPRM1OPRK1CHRM2OPRD1ANPEP
SCHEMBL24431404 0.82 L3MBTL1 (0.44) OPRM1OPRK1CHRM2OPRD1HRH3
SCHEMBL9784473 0.82 ESR1 (0.47) OPRM1OPRK1CHRM2OPRD1HRH3
SCHEMBL13965851 0.81 CHRM2 (0.58) CHRM2KMT2ACA1CA2
SCHEMBL17282056 0.81 ESR1 (0.50) OPRM1OPRK1CHRM2OPRD1HRH3
SCHEMBL13111842 0.80 SMN1; SMN2 (0.39) TPSAB1CHRM2ANPEPERAP2HRH3
SCHEMBL21799683 0.80 TPSAB1 (0.42) TPSAB1ANPEPERAP2HRH3MEN1
SCHEMBL13602556 0.80 KMT2A (0.64) CHRM2MEN1KMT2ATDP1
SCHEMBL17282169 0.79 GAA (0.55) MEN1KMT2ACA1CA2SMN1; SMN2

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