SCHEMBL8710396

SCHEMBL8710396

COCN1Cc2ccccc2C(CCI)(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ADAM17 P78536 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30
CASP6 P55212 1/20 0.30
MAPT P10636 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
SCHEMBL8705630 0.88 LMNA (0.42) LMNAADAM17OPRM1OPRK1OPRL1
SCHEMBL8711029 0.86 LMNA (0.35) LMNAOPRM1OPRK1OPRL1KMT2A
SCHEMBL8710937 0.84 ALDH1A1 (0.37) LMNAOPRM1OPRK1OPRL1KMT2A
SCHEMBL8701494 0.83 LMNA (0.42) LMNAKMT2AMEN1TSHRHTT
SCHEMBL8706705 0.81 OPRM1 (0.39) LMNAOPRM1OPRK1OPRL1KMT2A
SCHEMBL8707955 0.80 CCR1 (0.44) LMNAOPRM1OPRK1OPRL1KMT2A
Hydrochloric Acid SCHEMBL8705245 0.76 HTR7 (0.51) CYP1A2TSHR
SCHEMBL8710606 0.74 LMNA (0.35) LMNAOPRM1OPRK1OPRL1KMT2A
SCHEMBL8709417 0.72 ALDH1A1 (0.39) LMNAOPRM1KMT2AMEN1HTT
SCHEMBL8703449 0.70 LMNA (0.37) LMNAKMT2AMEN1HTT

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
WO-1998002432-A1 BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-22 WO disclosed