SCHEMBL11370360

SCHEMBL11370360

COc1cc2c(cc1OC)[C@H](C(C)Cl)OCCC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
CHRNA7 P36544 3/20 0.41
TSHR P16473 1/20 0.40
KCNN2 Q9H2S1 4/20 0.39
KCNN3 Q9UGI6 4/20 0.39
KCNN1 Q92952 2/20 0.39
SLC18A2 Q05940 1/20 0.38
RAD52 P43351 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL11220353 1.00 MAOA (0.41) MAOACHRNA7TSHRKCNN2KCNN3
SCHEMBL11220867 0.89 HTR2C (0.49) DRD2DRD1
SCHEMBL11229746 0.87 HTR2A (0.46) MAOACHRNA7
SCHEMBL11221051 0.83 SLC18A2 (0.39) MAOATSHRKCNN2KCNN3KCNN1
SCHEMBL11232884 0.80 HTR2C (0.33) RAD52DRD2DRD1
SCHEMBL11219797 0.80 ATM (0.39) RAD52DRD2DRD1
SCHEMBL11221677 0.77 SLC18A2 (0.39) MAOATSHRKCNN2KCNN3KCNN1
SCHEMBL11220976 0.77 KDM4E (0.43) CHRNA7DRD2DRD1
SCHEMBL11222256 0.76 KCNN2 (0.38) MAOATSHRKCNN2KCNN3KCNN1
SCHEMBL11218519 0.75 PARP1 (0.41) TSHRDRD2DRD1

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-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed