SCHEMBL27675560

SCHEMBL27675560

CCCCCCCCCCCCCCCCNC(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
SMPD1 P17405 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
CASR P41180 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL24486065 1.00 CYP3A4 (0.59) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL15823791 1.00 CYP3A4 (0.59) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL15933354 1.00 CYP3A4 (0.59) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL27453134 1.00 CYP3A4 (0.59) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL11474471 1.00 CYP3A4 (0.59) CYP3A4CHRM2HTR1AADRA2AADORA3
Hydrochloric Acid SCHEMBL4947293 0.98 CYP3A4 (0.61) CYP3A4CHRM2HTR1AADRA2AADORA3
Hydrochloric Acid SCHEMBL27865313 0.98 CYP3A4 (0.61) CYP3A4CHRM2HTR1AADRA2AADORA3
Bromide SCHEMBL28866232 0.98 CYP3A4 (0.58) CYP3A4CHRM2HTR1AADRA2AADORA3
Bromide SCHEMBL28076230 0.98 CYP3A4 (0.58) CYP3A4CHRM2HTR1AADRA2AADORA3
Hydrochloric Acid SCHEMBL27428618 0.98 CYP3A4 (0.61) CYP3A4CHRM2HTR1AADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109154029-A solid composition for sugar purification 罗地亚经营管理公司 2019-01-04 CN disclosed
CN-107257846-A With the stabilized laundry detergent composition of amphiphilic rheology modifier with amphiphilic cross-linking agents 路博润先进材料公司 2017-10-17 CN disclosed
CN-107250337-A Laundry detergent composition 路博润先进材料公司 2017-10-13 CN disclosed
CN-104479304-B A kind of biodegradable composite material and its preparation method and application 金发科技股份有限公司 2017-01-04 CN disclosed
CN-104840369-A Conditioning shampoo compositions UNILEVER NV 2015-08-19 CN disclosed
CN-104479301-A Inorganic filler full-biodegradable composite as well as preparation method and application of inorganic filler full-biodegradable composite KINGFA SCIENCE & TECHNOLOGY CO 2015-04-01 CN disclosed
CN-104479304-A Full-biodegradable composite as well as preparation method and application of full-biodegradable composite KINGFA SCIENCE & TECHNOLOGY CO 2015-04-01 CN disclosed
CN-104479305-A Full-biodegradable composite as well as preparation method and application of full-biodegradable composite KINGFA SCIENCE & TECHNOLOGY CO 2015-04-01 CN disclosed
CN-104479315-A Inorganic filler full-biodegradable composite as well as preparation method and application of inorganic filler full-biodegradable composite KINGFA SCIENCE & TECHNOLOGY CO 2015-04-01 CN disclosed
CN-101578088-B Conditioning shampoo compositions UNILEVER NV 2014-08-06 CN disclosed
CN-101578088-A Conditioning shampoo compositions UNILEVER NV (NL) 2009-11-11 CN disclosed
CN-101578089-A Conditioning shampoo compositions UNILEVER NV (NL) 2009-11-11 CN disclosed
CN-1933803-A Hair treatment compositions UNILEVER NV (NL) 2007-03-21 CN disclosed