SCHEMBL219789

SCHEMBL219789

CCC(C)OP(=O)(O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.45
HTR7 P34969 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2738998 0.81 HTR1A (0.51) LMNATSHRALDH1A1MAPTHTR7
SCHEMBL2739000 0.76 MEN1 (0.51) LMNATSHRNPSR1ALDH1A1MAPT
SCHEMBL220410 0.76 HTR1A (0.58) LMNAALDH1A1MAPTHTR7SMN1; SMN2
SCHEMBL219990 0.75 KDM4E (0.41) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL219788 0.75 ALDH1A1 (0.54) LMNATSHRNPSR1ALDH1A1MAPT
SCHEMBL2738999 0.72 MAPT (0.53) LMNATSHRALDH1A1MAPTHTR7
SCHEMBL217564 0.72 ALDH1A1 (0.46) LMNANPSR1ALDH1A1MAPT
SCHEMBL916036 0.71 HPGD (0.38) LMNATSHRRECQLALDH1A1RAB9A
SCHEMBL30767206 0.71 TSHR (0.57) LMNATSHRNPSR1MAPK1RECQL
SCHEMBL29204363 0.71 TSHR (0.57) LMNATSHRNPSR1MAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed