SCHEMBL10408965

SCHEMBL10408965

CC1CC(C)(C)N(Cc2c[nH]cn2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK1 Q13464 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 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
SCHEMBL9155272 0.78 CRHBP (0.48) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL3524505 0.77 ROCK1 (0.39) DRD2DRD4LMNAROCK1NOTUM
SCHEMBL3524502 0.77 ROCK1 (0.39) DRD2DRD4LMNAROCK1NOTUM
SCHEMBL3524506 0.77 ROCK1 (0.39) DRD2DRD4LMNAROCK1NOTUM
SCHEMBL9073520 0.76 AMPD2 (0.49) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL11428861 0.74 CRHBP (0.45) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL3975558 0.74 CRHBP (0.47) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL8942349 0.73 CRHBP (0.47) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL11431643 0.73 CRHBP (0.44) CRHBPCRHR2DRD2DRD4LMNA
SCHEMBL11419734 0.73 CRHBP (0.47) CRHBPCRHR2DRD2DRD4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4962200-A PREVENTS HARDENING OF BLOOD VESSELS BY CONTROLLING FORMATION OF PEROXIDE LIPIDS IN CELL MEMBRANES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US disclosed
EP-0289365-A2 Novel nitrogen-containing compound MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-11-02 EP disclosed