SCHEMBL9386607

SCHEMBL9386607

Cc1ccc2c(c1)CCC(C#N)(c1ccccc1)O2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
OPRM1 P35372 1/20 0.32
BACE1 P56817 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXRA P19793 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9385926 0.81 KDM1A (0.37) SIGMAR1KDM1AMAOAMAOBOPRM1
SCHEMBL9386634 0.74 HSD11B1 (0.34) HSD11B1SIGMAR1KDM1AMAOAMAOB
SCHEMBL6849624 0.70 PKM (0.49) KDM1AMAOAMAOBOPRM1
SCHEMBL14449820 0.68 KDM4E (0.36) RXRAKDM4E
SCHEMBL11220224 0.68 MAPT (0.35) SIGMAR1OPRM1LMNANPSR1
SCHEMBL15280340 0.67 PKM (0.41) SIGMAR1KDM1AMAOAMAOBKDM4E
SCHEMBL14449323 0.67 AKT1 (0.36) KDM1AMAOAMAOBRXRAKDM4E
SCHEMBL18165459 0.65 GAA (0.36) RXRAKDM4E
SCHEMBL8669756 0.65 HRH3 (0.43) KDM1AOPRM1KDM4E
SCHEMBL10434159 0.65 KDM4E (0.37) OPRM1RXRAKDM4E

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-1994000450-A1 CHROMANDERIVATIVES AS ANGIOTENSIN II ANTAGONISTS ZENECA LIMITED (GB) 1994-01-06 WO disclosed