SCHEMBL6549468

SCHEMBL6549468

CCc1cc(C)ccc1N(N)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AMY1A P0DUB6 1/20 0.32
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11197302 0.80 TDP1 (0.37) TAAR1ALDH1A1TDP1THRBTP53
SCHEMBL10225708 0.78 MAPT (0.37) TAAR1MAPTALDH1A1POLBRXFP1
SCHEMBL9814744 0.77 NQO2 (0.40) MAPTALDH1A1POLBHPGDTP53
SCHEMBL7634615 0.77 HPGD (0.36) TAAR1MAPTALDH1A1POLBRXFP1
SCHEMBL146113 0.76 AMY1A (0.37) TAAR1MAPTALDH1A1POLBRXFP1
SCHEMBL7187263 0.76 MAPT (0.36) TAAR1MAPTALDH1A1POLBRXFP1
Hydrochloric Acid SCHEMBL30471359 0.74 AMY1A (0.36) TAAR1MAPTALDH1A1POLBRXFP1
SCHEMBL2157219 0.74 AMY1A (0.36) TAAR1MAPTALDH1A1POLBRXFP1
SCHEMBL22892211 0.74 ALDH1A1 (0.34) MAPTALDH1A1TDP1THRBGAA
SCHEMBL9221189 0.74 MGLL (0.39) MAPTALDH1A1GPR55HPGDGAA

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-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed