SCHEMBL9035642

SCHEMBL9035642

NCc1ccccc1C/C=C/c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
IDO1 P14902 2/20 0.47
HTR2A P28223 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PAM P19021 1/20 0.42
DPP4 P27487 1/20 0.41
MAOB P27338 2/20 0.39
PNMT P11086 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39

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
Hydrochloric Acid SCHEMBL30081488 0.98 PTGER4 (0.50) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL6546776 0.80 PTGER4 (0.56) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL6546773 0.80 PTGER4 (0.56) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL7111095 0.78 PTGER4 (0.50) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL3128231 0.78 NFE2L2 (0.43) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL3128239 0.78 NFE2L2 (0.43) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL2033548 0.78 PTGER4 (0.53) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL2033547 0.78 PTGER4 (0.53) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL6547504 0.77 PTGER4 (0.49) PTGER4PTGER3PTGER2IDO1HTR2A
SCHEMBL6547487 0.77 PTGER4 (0.49) PTGER4PTGER3PTGER2IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646113-B1 SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AG (DE) 1996-12-18 EP disclosed
EP-0646113-A1 SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994000445-A1 SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed