SCHEMBL9871677

SCHEMBL9871677

Cc1ccc(C2(O)CCN(Cc3ccccc3)C(=O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.49
CCR3 P51677 1/20 0.48
POLB P06746 3/20 0.48
OPRM1 P35372 3/20 0.47
OPRK1 P41145 3/20 0.47
OPRD1 P41143 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR1 P25103 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 1/20 0.41

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
SCHEMBL3898508 0.78 OPRL1 (0.79) OPRL1CCR3POLBOPRM1OPRK1
SCHEMBL22004727 0.73 L3MBTL1 (0.53) POLBMEN1KMT2AL3MBTL1
SCHEMBL7446018 0.72 L3MBTL1 (0.49) OPRL1POLBOPRM1MEN1KMT2A
SCHEMBL3235714 0.72 OPRL1 (0.79) OPRL1CCR3POLBOPRM1OPRK1
SCHEMBL7436778 0.71 L3MBTL1 (0.48) OPRL1POLBOPRM1MEN1KMT2A
SCHEMBL7443185 0.71 L3MBTL1 (0.48) OPRL1POLBOPRM1MEN1KMT2A
SCHEMBL8751541 0.71 KDM4E (0.56) OPRL1CCR3POLBOPRM1OPRK1
SCHEMBL7436417 0.69 L3MBTL1 (0.46) OPRL1POLBOPRM1OPRK1MEN1
SCHEMBL18204153 0.69 CYP2D6 (0.50) POLBMEN1KMT2AL3MBTL1
SCHEMBL23132436 0.68 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1

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-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed