SCHEMBL21799451

SCHEMBL21799451

CC(C)(C)CCNC(CN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 3/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HRH1 P35367 2/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL21799685 0.82 TAAR1 (0.44) RIPK1TAAR1HTR2ASLC6A2SLC6A4
SCHEMBL21799747 0.80 SIGMAR1 (0.46) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL21799461 0.77 ALDH1A1 (0.53) TAAR1HTR2ALMNA
SCHEMBL21799774 0.77 CYP3A4 (0.49) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL17282130 0.77 CYP3A4 (0.61) RIPK1SLC6A2SLC6A4SLC6A3MTOR
SCHEMBL13965852 0.77 CYP3A4 (0.61) RIPK1SLC6A2SLC6A4SLC6A3MTOR
SCHEMBL17282110 0.77 CYP3A4 (0.61) RIPK1SLC6A2SLC6A4SLC6A3MTOR
SCHEMBL22810528 0.77 TAAR1 (0.45) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10547652 0.77 TAAR1 (0.45) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL12637135 0.77 HTR2A (0.48) TAAR1HTR2AMTORRAB9AGRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
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
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed