SCHEMBL1737768

SCHEMBL1737768

CCC1c2ccccc2CCN1c1nccc2c(C)c(C)n(CC=C(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.36
KRAS P01116 1/20 0.33
MTNR1B P49286 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
NTRK1 P04629 2/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL1736487 0.99 SIGMAR1 (0.38) SIGMAR1KRASMTNR1BMEN1KMT2A
SCHEMBL1737403 0.90 PRCP (0.36) SIGMAR1KRASMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1738279 0.89 PRCP (0.36) SIGMAR1KRASMEN1KMT2ALMNA
SCHEMBL1737283 0.88 MEN1 (0.35) KRASMTNR1BMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1736961 0.87 MEN1 (0.34) KRASMTNR1BMEN1KMT2ALMNA
SCHEMBL1737872 0.85 FABP4 (0.39) SIGMAR1MEN1KMT2ALMNATDP1
SCHEMBL1737211 0.85 MEN1 (0.32) KRASMEN1KMT2ALMNATDP1
SCHEMBL1736506 0.84 SIGMAR1 (0.34) SIGMAR1KRASMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1737082 0.84 FABP4 (0.38) SIGMAR1MEN1KMT2ALMNATDP1
Hydrochloric Acid SCHEMBL1736448 0.84 PPARG (0.32) KRASMEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed