SCHEMBL11338199

SCHEMBL11338199

CCN(Cc1ccccc1)C1CCCCCC1N(C(C)=O)c1ccc(Br)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TSPO P30536 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL11571464 0.97 CHRM2 (0.40) CHRM2CHRM3ATMSLC18A3L3MBTL1
SCHEMBL26879524 0.72 SLC18A3 (0.50) ATMSLC18A3L3MBTL1KDM4EALDH1A1
SCHEMBL11338202 0.72 CHRM3 (0.38) CHRM2CHRM3ATMSLC18A3L3MBTL1
SCHEMBL20063747 0.69 SLC18A3 (0.68) SLC18A3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL11571467 0.68 PTGDR2 (0.38) CHRM2CHRM3KDM4EALDH1A1TSPO
SCHEMBL11350694 0.67 L3MBTL1 (0.45) CHRM2CHRM3SLC18A3L3MBTL1MEN1
SCHEMBL11331790 0.66 ALDH1A1 (0.47) CHRM2CHRM3ATMSLC18A3L3MBTL1
SCHEMBL11438363 0.66 SLC18A3 (0.33) CHRM2CHRM3SLC18A3LMNA
SCHEMBL9455273 0.66 GRIN2B (0.58) SLC18A3L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL20506805 0.65 SLC18A3 (0.49) SLC18A3KDM4EALDH1A1MEN1KMT2A

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
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