SCHEMBL11342192

SCHEMBL11342192

CCCCCCCCCCN(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
KCNH2 Q12809 5/20 0.46
CNR2 P34972 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PAX8 Q06710 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GPX4 P36969 1/20 0.42
JAK2 O60674 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DNM1 Q05193 3/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11331999 1.00 MCHR1 (0.49) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL800068 0.98 MCHR1 (0.46) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL11638928 0.93 NPC1 (0.50) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL10473072 0.84 DHFR (0.46) KCNH2HTTNPC1RAB9APAX8
SCHEMBL17660041 0.84 DHFR (0.46) KCNH2HTTNPC1RAB9APAX8
SCHEMBL22321046 0.83 CNR2 (0.51) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL22321048 0.83 CNR2 (0.51) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL22321029 0.83 CNR2 (0.51) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL22321081 0.83 CNR2 (0.51) MCHR1KCNH2CNR2HTTNPC1
SCHEMBL22321098 0.83 CNR2 (0.51) MCHR1KCNH2CNR2HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210883-B1 INVESTMENT CASTING COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-02-14 EP disclosed
US-20230348667-A1 Investment Casting Compositions and Methods 3M INNOVATIVE PROPERTIES COMPANY 2023-11-02 US disclosed
EP-4210883-A1 INVESTMENT CASTING COMPOSITIONS AND METHODS 3M Innovative Properties Company (US) 2023-07-19 EP disclosed
WO-2022053890-A1 INVESTMENT CASTING COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-03-17 WO disclosed
US-4292196-A Catalyst recovery UOP INC. (US) 1981-09-29 US disclosed
US-4250115-A Preparation of tertiary amines UOP INC. (US) 1981-02-10 US disclosed
US-4207260-A Preparation of tertiary amines UOP INC. (US) 1980-06-10 US disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed