SCHEMBL10772016

SCHEMBL10772016

O=C(c1ccccc1)C(c1ccccc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SLC6A4 P31645 1/20 0.49
GAA P10253 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TSHR P16473 1/20 0.48
OPRM1 P35372 1/20 0.48
GLS O94925 1/20 0.47

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 SCHEMBL27478166 0.98 OPRD1 (0.56) OPRD1MEN1KMT2ASIGMAR1LMNA
SCHEMBL7582208 0.85 LMNA (0.69) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL2885091 0.83 MEN1 (0.58) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL9366693 0.83 GAA (0.70) MEN1KMT2ALMNAL3MBTL1GAA
SCHEMBL793646 0.82 OPRD1 (0.60) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL12175103 0.82 OPRD1 (0.60) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL16052070 0.82 MEN1 (0.56) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL14932836 0.82 MEN1 (0.56) OPRD1MEN1KMT2ALMNASLC6A4
SCHEMBL28598873 0.81 SIGMAR1 (0.56) OPRD1MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL2468109 0.81 LMNA (0.73) KMT2ALMNAL3MBTL1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1150176-C Aralkylone pipeazine derivative and its application �Ϻ�ҽҩ��ҵ�о�Ժ 2004-05-19 CN claimed
CN-1381449-A Aralkylone pipeazine derivative and its application SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN claimed
CN-1150176-C Aralkylone pipeazine derivative and its application �Ϻ�ҽҩ��ҵ�о�Ժ 2004-05-19 CN disclosed
CN-1381449-A Aralkylone pipeazine derivative and its application SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN disclosed
EP-0250193-A2 Photoreactive lenses GEC-MARCONI LIMITED (GB) 1987-12-23 EP disclosed
US-3988456-A ANALGESICS, ANTITUSSIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-26 US disclosed