SCHEMBL14028632

SCHEMBL14028632

CC12CCC3C1C3(C)C2NC(=O)Nc1nn(Cc2ccccc2)c2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.37
BRD4 O60885 2/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL14028572 0.85 CYP19A1 (0.35) CYP19A1BRD4EP300CREBBPSIGMAR1
SCHEMBL13871619 0.81 CNR2 (0.47)
SCHEMBL14538579 0.76 CYP19A1 (0.36) CYP19A1BRD4SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL13871505 0.67 CNR2 (0.52)
SCHEMBL10216961 0.67 CNR2 (0.52)
SCHEMBL13871389 0.65 ALDH1A1 (0.58) BRD4SIGMAR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL300508 0.64 CNR2 (0.46)
SCHEMBL182893 0.64 FABP4 (0.49) SIGMAR1KMT2AMEN1LMNATSHR
SCHEMBL300478 0.64 FABP4 (0.50) SIGMAR1KMT2AMEN1TSHRHPGD
SCHEMBL10216949 0.64 MEN1 (0.48) SIGMAR1SMN1; SMN2KMT2AMEN1LMNA

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-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed