SCHEMBL30495002

SCHEMBL30495002

CC(Cc1cccc(N)c1)c1ccc(C(C)Cc2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP19A1 P11511 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PNMT P11086 1/20 0.43
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL310745 1.00 ADRB2 (0.48) ADRB2MAOAMAOBCYP19A1ESR1
SCHEMBL28087034 0.96 CYP19A1 (0.52) ADRB2MAOAMAOBCYP19A1ESR1
SCHEMBL30494859 0.93 CYP19A1 (0.53) ADRB2MAOAMAOBCYP19A1ESR1
SCHEMBL10351218 0.93 MAOA (0.53) ADRB2MAOAMAOBCYP19A1TAAR1
SCHEMBL1128548 0.92 ESR1 (0.61) ADRB2MAOAMAOBCYP19A1ESR1
SCHEMBL3260417 0.91 ADRB2 (0.50) ADRB2MAOAMAOBCYP19A1PNMT
SCHEMBL7930021 0.91 ADRB2 (0.47) ADRB2MAOAMAOBCYP19A1PNMT
SCHEMBL1100434 0.89 ESR1 (0.46) ADRB2MAOACYP19A1ESR1ESR2
SCHEMBL1099930 0.87 ADRB2 (0.47) ADRB2MAOAMAOBCYP19A1PNMT
SCHEMBL1446561 0.86 ANPEP (0.43) ADRB2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036459-B Semiconductor processing tape 古河电气工业株式会社 2023-07-14 CN disclosed