SCHEMBL8435478

SCHEMBL8435478

C[SiH](C)OC(C(O)C1CN(Cc2ccccc2)CCC1=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.53
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL27674647 0.84 TACR1 (0.57) TACR1APOBEC3ARECQLAPOBEC3G
SCHEMBL6575758 0.76 TACR1 (0.72) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL6042718 0.76 TACR1 (0.55) TACR1APOBEC3ARECQLAPOBEC3G
SCHEMBL23892111 0.76 TACR1 (0.64) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL7227119 0.74 TACR1 (0.76) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL8435472 0.72 TACR1 (0.53) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL10737198 0.71 TACR1 (0.64) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL8804899 0.70 TACR1 (0.47) TACR1APOBEC3ARECQLAPOBEC3GGRIN1
SCHEMBL6411370 0.70 TACR1 (1.00) TACR1
SCHEMBL10736720 0.68 TACR1 (0.59) TACR1APOBEC3ARECQLAPOBEC3G

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
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed