SCHEMBL6618840

SCHEMBL6618840

C=CCN1CCCCC1c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
PRCP P42785 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
RORC P51449 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL12358259 0.77 LMNA (0.49) LMNAALDH1A1POLBKDM4ETSHR
SCHEMBL4341158 0.77 PRCP (0.48) ALDH1A1KDM4EPRCP
SCHEMBL8205127 0.76 CHRNB2 (0.41) LMNAALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL21393239 0.72 POLB (0.54) LMNAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL14266758 0.72 LMNA (0.47) LMNAALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL27763359 0.71 PRCP (0.46) PRCP
SCHEMBL1428541 0.71 LMNA (0.46) LMNAALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL11362948 0.71 LMNA (0.46) LMNAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL10762717 0.70 HSD17B10 (0.42) LMNAALDH1A1SMN1; SMN2KDM4EPRCP
SCHEMBL28310981 0.69 POLB (0.64) LMNAALDH1A1SMN1; SMN2POLBKDM4E

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
EP-1250336-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2004-05-12 EP disclosed