SCHEMBL7762057

SCHEMBL7762057

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2CC[C@@H]4C)CCC1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.79
KDM4E B2RXH2 10/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
HSD17B10 Q99714 5/20 0.50
POLB P06746 3/20 0.50
OPRM1 P35372 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50
ALB P02768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KCNH2 Q12809 4/20 0.49
AADAT Q8N5Z0 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49

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
SCHEMBL4369898 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4379656 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4369351 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Water SCHEMBL7764910 0.99 LMNA (0.78) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7225048 0.92 LMNA (0.78) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7227083 0.91 LMNA (0.66) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7227115 0.90 LMNA (0.75) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7236649 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7225535 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7226923 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1

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
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed