SCHEMBL21799489

SCHEMBL21799489

CCC(C)CCNC(CN)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
HTR1A P08908 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
LMNA P02545 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
SMPD1 P17405 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
CASR P41180 1/20 0.45
HTR2B P41595 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL28855180 1.00 CYP3A4 (0.45) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL21799774 0.85 CYP3A4 (0.49) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL21799752 0.83 GPR88 (0.46) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL21799747 0.81 SIGMAR1 (0.46) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL21799864 0.79 TAAR1 (0.44) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL21799461 0.78 ALDH1A1 (0.53) LMNAALDH1A1TAAR1HTR2A
SCHEMBL21799704 0.77 GPR88 (0.48) GPR88HTTTAAR1HTR2AAOC3
SCHEMBL26472298 0.77 TAAR1 (0.48) GPR88TAAR1HTR2AHRH1MTOR
SCHEMBL11622496 0.77 TAAR1 (0.48) GPR88TAAR1HTR2AHRH1MTOR
SCHEMBL21799476 0.77 HTR2A (0.47) ALDH1A1TAAR1HTR2A

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