SCHEMBL11244801

SCHEMBL11244801

C=CCC1(c2ccccc2)CCCC1C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SSTR4 P31391 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNA3 P22001 1/20 0.33

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
SCHEMBL11244360 0.85 LMNA (0.41) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11256394 0.85 LMNA (0.42) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11252284 0.83 LMNA (0.39) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11247876 0.75 HTR2A (0.43) OPRM1
SCHEMBL11248709 0.67 HSD11B1 (0.45) LMNAKMT2AOPRM1OPRL1HTT
Benzoic Acid SCHEMBL10818979 0.67 MEN1 (0.36) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11079566 0.66 MEN1 (0.33) ALDH1A1MEN1KMT2APOLBOPRM1
SCHEMBL14980950 0.66 ALDH1A1 (0.39) LMNAALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11250668 0.63 GAA (0.44) ALDH1A1MEN1KMT2AOPRM1OPRL1
SCHEMBL11547438 0.63 TSHR (0.39) LMNAALDH1A1MEN1KMT2AOPRM1

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-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed