SCHEMBL21799538

SCHEMBL21799538

CCC(CC)CNC(CN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
HTR2A P28223 1/20 0.42
AOC3 Q16853 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR88 Q9GZN0 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL21799752 0.84 GPR88 (0.46) TAAR1HTR2AAOC3GPR88LMNA
SCHEMBL21799526 0.81 TAAR1 (0.50) TAAR1HTR2AAOC3ALDH1A1LMNA
SCHEMBL26472298 0.81 TAAR1 (0.48) TAAR1HTR2AAOC3GPR88CHRNB2
SCHEMBL11622496 0.81 TAAR1 (0.48) TAAR1HTR2AAOC3GPR88CHRNB2
SCHEMBL21799468 0.79 TAAR1 (0.48) TAAR1HTR2AAOC3ALDH1A1GPR88
SCHEMBL21799704 0.78 GPR88 (0.48) TAAR1HTR2AAOC3GPR88
SCHEMBL21799747 0.78 SIGMAR1 (0.46) TAAR1HTR2AAOC3ALDH1A1GPR88
SCHEMBL24805215 0.76 APAF1 (0.58) KDM4EALDH1A1TRPA1LMNA
SCHEMBL21799461 0.75 ALDH1A1 (0.53) TAAR1HTR2AALDH1A1LMNA
SCHEMBL21799489 0.75 CYP3A4 (0.45) TAAR1HTR2AAOC3ALDH1A1GPR88

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