SCHEMBL8331069

SCHEMBL8331069

CCc1cccc(C(CC)C(=O)N(C)C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 8/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ USP9X Q93008 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL8329361 0.86 CCR5 (0.49) CCR5SMN1; SMN2MEN1KMT2APTGS2
SCHEMBL8333192 0.85 KCNQ2 (0.46) CCR5MEN1KMT2ADPP4DPP9
SCHEMBL8332215 0.82 POLB (0.49) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8328657 0.82 KCNQ2 (0.47) CCR5POLB
SCHEMBL8332307 0.81 ACHE (0.43) CCR5MEN1KMT2ADPP4DPP9
SCHEMBL8332918 0.80 ALOX5 (0.44) CCR5SMN1; SMN2
SCHEMBL8331939 0.79 KCNQ2 (0.41) CCR5SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8333540 0.78 MTNR1A (0.46) CCR5SMN1; SMN2MEN1KMT2A
SCHEMBL8329274 0.77 MTNR1A (0.45) CCR5SMN1; SMN2MEN1KMT2A
SCHEMBL8330948 0.77 MTNR1A (0.45) CCR5SMN1; SMN2MEN1KMT2A

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-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 — — US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 — — US disclosed
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