SCHEMBL9333397

SCHEMBL9333397

CCCCCCCCC(C#N)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 5/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 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
SCHEMBL5702641 1.00 TSHR (0.37) TSHRLMNADNM1PLA2G1BPLA2G2A
SCHEMBL9333404 0.91 TSHR (0.40) TSHRDNM1
SCHEMBL6914555 0.81 PLA2G1B (0.38) TSHRLMNADNM1PLA2G1BPLA2G2A
SCHEMBL8773721 0.78 TSHR (0.38) TSHRLMNADNM1PLA2G1BPLA2G2A
SCHEMBL7052656 0.78 TSHR (0.38) TSHRLMNADNM1PLA2G1BPLA2G2A
SCHEMBL23388971 0.75 TSHR (0.42) TSHRDNM1
SCHEMBL13601912 0.74 TSHR (0.46) TSHRLMNADNM1THRBOPRM1
SCHEMBL12844942 0.74 TSHR (0.46) TSHRLMNADNM1THRBOPRM1
SCHEMBL15211724 0.74 TSHR (0.46) TSHRLMNADNM1THRBOPRM1
SCHEMBL366647 0.74 TSHR (0.46) TSHRLMNADNM1THRBOPRM1

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-0592488-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUTO GENTILI S.P.A. (IT) 1994-04-20 EP disclosed
WO-1993000348-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO GENTILI S.P.A. (IT) 1993-01-07 WO disclosed