SCHEMBL7708718

SCHEMBL7708718

CC1(c2ccc3ccccc3c2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL7711516 0.81 MMP2 (0.39)
SCHEMBL7708684 0.77 HCAR2 (0.42) SLC6A3SLC6A2KMT2ADDB1CRBN
SCHEMBL7712066 0.77 CA1 (0.36) CA1CA2KMT2ARAB9A
SCHEMBL7713921 0.76 ALDH1A1 (0.38) KMT2ANPC1RAB9ADDB1CRBN
SCHEMBL7711524 0.75 CYP19A1 (0.39) DDB1CRBN
SCHEMBL7711508 0.75 MGAT2 (0.36) RAB9A
SCHEMBL7712046 0.73 MAPT (0.39) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL7705311 0.73 HCAR3 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL7712065 0.73 KDM4E (0.40) CA1KMT2ANPC1RAB9A
SCHEMBL23727765 0.72 PGR (0.40) KMT2ANPC1RAB9ACRBN

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
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed