SCHEMBL8763265

SCHEMBL8763265

O=CNCCc1ccccc1Cc1ccccc1CCNC=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
ADH1C P00326 1/20 0.42
TAAR1 Q96RJ0 3/20 0.38
MPO P05164 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HSPA5 P11021 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL8763407 0.94 ADH1B (0.46) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL10433878 0.84 ADH1B (0.46) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL14370142 0.81 TMEM97 (0.38) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL6564274 0.80 CHRM2 (0.50) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL2859013 0.80 TAAR1 (0.58) TAAR1MPOMEN1KMT2A
SCHEMBL5072950 0.80 MPO (0.61) TAAR1MPOCA12CA2CA9
SCHEMBL2469837 0.80 TAAR1 (0.58) TAAR1CHRM2
SCHEMBL5604774 0.80 TAAR1 (0.58) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL33530596 0.80 TAAR1 (0.58) ADH1BADH1AADH7ADH1CTAAR1
SCHEMBL18773845 0.79 RXFP1 (0.42) ADH1BADH1AADH7ADH1CTAAR1

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
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed