SCHEMBL8401613

SCHEMBL8401613

[O]CC=Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ENPP2 Q13822 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
NOTUM Q6P988 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 2/20 0.49
BAZ2B Q9UIF8 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP17A1 P05093 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
SCHEMBL7385020 1.00 MAOB (0.52) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL6852411 0.84 ENPP2 (0.54) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL6852406 0.84 ENPP2 (0.54) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL8828266 0.82 MAOB (0.54) MAOBPDE3BPDE3AMAPTENPP2
SCHEMBL8828261 0.82 MAOB (0.54) MAOBPDE3BPDE3AMAPTENPP2
SCHEMBL10520409 0.81 MAOB (0.53) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL8288350 0.79 MAPT (0.60) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL209879 0.79 MAPT (0.60) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL6880937 0.79 MAOB (0.53) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL6880941 0.79 MAOB (0.53) MAOBPDE3BPDE3AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
US-5859244-A EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM FUJIREBIO, INC. (JP) 1999-01-12 US disclosed
US-5763614-A VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM FUJIREBIO INC. (JP) 1998-06-09 US disclosed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US disclosed