SCHEMBL9399322

SCHEMBL9399322

CCCCCc1ccc(-c2ncc(OC[C@H]3CC[C@H](CCCCC)CC3)cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 5/20 0.34
GPR119 Q8TDV5 2/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL9399312 1.00 CNR2 (0.37) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9398909 0.88 RAB9A (0.34) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9398919 0.88 RAB9A (0.34) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9399519 0.88 GRM2 (0.39) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9399526 0.88 GRM2 (0.39) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9399132 0.88 FFAR4 (0.42) RAB9ANPC1KDM1ASMN1; SMN2HSD17B10
SCHEMBL9398788 0.88 RAB9A (0.34) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9399123 0.88 FFAR4 (0.42) RAB9ANPC1KDM1ASMN1; SMN2HSD17B10
SCHEMBL9398793 0.88 RAB9A (0.34) CNR2RAB9ANPC1KDM1ASMN1; SMN2
SCHEMBL9399866 0.86 RARB (0.41) CNR2RAB9ANPC1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed