SCHEMBL11437192

SCHEMBL11437192

CCCC(=O)N(c1ccccc1)C1CC(C)CC1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.43
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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
SCHEMBL11446890 0.79 TP53 (0.47) PTGDR2TP53TSHRCYP3A4MAPT
SCHEMBL11441403 0.78 SMN1; SMN2 (0.37) PTGDR2TSHRCYP3A4MAPTCYP2C9
SCHEMBL11437286 0.77 CHRM2 (0.41) TP53KCNH2BCHECHRM2CHRM4
SCHEMBL11450503 0.75 MITF (0.39) PTGDR2CHRM2CHRM3
SCHEMBL11334031 0.72 TP53 (0.42) PTGDR2TP53TSHRCYP3A4MAPT
SCHEMBL11435695 0.72 CHRM3 (0.39) MAPTCHRM2CHRM1CHRM3
SCHEMBL11434896 0.69 TP53 (0.47) PTGDR2TP53TSHRCYP3A4MAPT
SCHEMBL11446523 0.69 TP53 (0.47) PTGDR2TP53TSHRCYP3A4MAPT
SCHEMBL16311866 0.69 CHRM2 (0.56) TSHRBCHECHRM2CHRM4CHRM1
SCHEMBL11438333 0.69 ALDH1A1 (0.36) PTGDR2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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