SCHEMBL5887347

SCHEMBL5887347

COC1=CC[CH]C(c2ccccc2C)=C1c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.33
MAPT P10636 4/20 0.32
NR1H4 Q96RI1 1/20 0.32
HTR2C P28335 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL5887667 0.89 NPC1 (0.39) MEN1KMT2AMAPTNR1H4TP53
SCHEMBL5887426 0.86 MEN1 (0.34) MEN1KMT2APOLBTP53
SCHEMBL5887191 0.86 MEN1 (0.37) MEN1KMT2APOLBMAPTHTR2C
SCHEMBL6047617 0.82 TUBB4A (0.37) MEN1KMT2APOLBMAPTTP53
SCHEMBL5887353 0.81 MEN1 (0.35) MEN1KMT2AHTR2CTP53
SCHEMBL5887287 0.78 ACHE (0.46) MEN1KMT2AMAPT
SCHEMBL5887105 0.77 ESR2 (0.35) POLBMAPTTP53
SCHEMBL6047646 0.77 CYP2D6 (0.32)
SCHEMBL5887653 0.76 FFAR2 (0.40) KMT2AMAPT
SCHEMBL5887589 0.75 APEX1 (0.36) MAPTHTR2CTP53

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed