SCHEMBL15533188

SCHEMBL15533188

CC(C)CC1CCCC(C)N1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 1/20 0.31
CHRM1 P11229 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
SCHEMBL24663196 0.86 CYP2C9 (0.36) CYP2C9TSHRCYP2C19TDP1
SCHEMBL6380793 0.86 TSHR (0.33) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2688418 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2688415 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2688419 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689322 0.78 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689317 0.78 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689316 0.78 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL7202039 0.78 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL15536977 0.78 CYP2D6 (0.41) CYP2C9TSHRCYP2C19TDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed