SCHEMBL21799752

SCHEMBL21799752

CCC(C)CNC(CN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 6/20 0.46
TAAR1 Q96RJ0 5/20 0.46
AOC3 Q16853 1/20 0.42
HTR2A P28223 1/20 0.41
LMNA P02545 2/20 0.37
APAF1 O14727 1/20 0.37
ANPEP P15144 1/20 0.36
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
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 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
SCHEMBL21799704 0.87 GPR88 (0.48) GPR88TAAR1AOC3HTR2A
SCHEMBL21799538 0.84 TAAR1 (0.42) GPR88TAAR1AOC3HTR2ALMNA
SCHEMBL21799526 0.84 TAAR1 (0.50) TAAR1AOC3HTR2ALMNAAPAF1
SCHEMBL28855180 0.83 CYP3A4 (0.45) GPR88TAAR1AOC3HTR2ALMNA
SCHEMBL21799489 0.83 CYP3A4 (0.45) GPR88TAAR1AOC3HTR2ALMNA
SCHEMBL21799468 0.81 TAAR1 (0.48) GPR88TAAR1AOC3HTR2ALMNA
SCHEMBL11622496 0.80 TAAR1 (0.48) GPR88TAAR1AOC3HTR2A
SCHEMBL26472298 0.80 TAAR1 (0.48) GPR88TAAR1AOC3HTR2A
SCHEMBL24763133 0.78 APAF1 (0.58) LMNAAPAF1ANPEPCHRM2HTR1A
SCHEMBL24762950 0.78 APAF1 (0.58) LMNAAPAF1ANPEPCHRM2HTR1A

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