SCHEMBL1738162

SCHEMBL1738162

CC(C)=CCn1c(C)c(C)c2ccnc(COc3ccc(F)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM5 P41594 3/20 0.32
MAOA P21397 1/20 0.31
FFAR1 O14842 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31

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 SCHEMBL1736497 0.99 MAOB (0.33) MAOBRAB9ANPC1MAPTCYP1A2
SCHEMBL1738032 0.92 LMNA (0.34) MAOBRAB9ANPC1MAPTKMT2A
Hydrochloric Acid SCHEMBL1736607 0.91 LMNA (0.34) MAOBRAB9ANPC1MAPTKMT2A
SCHEMBL1737072 0.90 MAOA (0.33) MAOBRAB9ANPC1MAPTCYP1A2
Hydrochloric Acid SCHEMBL1736258 0.89 MAOB (0.33) MAOBRAB9ANPC1MAPTCYP1A2
SCHEMBL1737110 0.86 NPC1 (0.38) MAOBRAB9ANPC1MAPTCYP1A2
Hydrochloric Acid SCHEMBL1737662 0.85 NPC1 (0.38) MAOBRAB9ANPC1MAPTCYP1A2
SCHEMBL1738301 0.85 RAB9A (0.36) RAB9ANPC1FFAR1KMT2AALDH1A1
SCHEMBL1736203 0.85 PTGDR2 (0.35) RAB9ANPC1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1737633 0.84 RAB9A (0.35) RAB9ANPC1FFAR1KMT2AALDH1A1

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