SCHEMBL10934860

SCHEMBL10934860

C[C@H](NCCCN)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
LMNA P02545 2/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
SMPD1 P17405 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
CASR P41180 1/20 0.61
HTR2B P41595 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL10934983 1.00 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL10939442 0.98 KMT2A (0.62) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL11309271 0.93 CYP3A4 (0.54) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL4706959 0.88 CYP3A4 (0.66) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL1132349 0.88 CYP3A4 (0.66) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3927833 0.88 CYP3A4 (0.66) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL10779809 0.88 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL1101513 0.88 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL5461331 0.88 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1087171 0.86 KMT2A (0.71) CYP3A4LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267102-A Bleomycin group antibiotics NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-05-12 US claimed
US-4238391-A AMIDATION OF BLEOMYCINIC ACID NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-12-09 US claimed
JP-54041387-A None JP disclosed
JP-57150641-A None JP disclosed
JP-54063089-A None JP disclosed
JP-59184199-A None JP disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
JP-S59184199-A NOVEL AMIDE N-SUBSTITUTED BLEOMYCINS NIPPON KAYAKU CO LTD 1984-10-19 JP disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed
JP-S57150641-A N-((S)-1'-PHENYLETHYL)-1,3-DIAMINOPROPANE AND ITS PREPARATION NIPPON KAYAKU CO LTD 1982-09-17 JP disclosed
US-4326054-A ANTIBIOTIC AND ANTITUMOR AGENT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-04-20 US disclosed
US-4267102-A Bleomycin group antibiotics NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-05-12 US disclosed
US-4238391-A AMIDATION OF BLEOMYCINIC ACID NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-12-09 US disclosed
US-4238391-A AMIDATION OF BLEOMYCINIC ACID NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-12-09 US disclosed
US-4195018-A CARCINOSTATIC ANTIBIOTICS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-03-25 US disclosed
US-4195018-A CARCINOSTATIC ANTIBIOTICS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-03-25 US disclosed
JP-S5463089-A PREPARATION OF 3-(S)-1' PHENYLETHYLAMINOPROPYLAMINO-BLEOMYCIN AND ITS NON-TOXIC SALT NIPPON KAYAKU CO LTD 1979-05-21 JP disclosed
JP-S5441387-A PREPARATION OF 3-(S)-1'PHENYLETHYLAMINO-PROPLYAMINO-BLEOMYCIN NIPPON KAYAKU CO LTD 1979-04-02 JP disclosed
JP-S05441387-A 0001-01-01 JP disclosed