SCHEMBL11338202

SCHEMBL11338202

CCN(Cc1ccccc1)C1C(Br)C(Br)CCCC1N(C(C)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ OPRD1 P41143 3/20 0.34

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
SCHEMBL11571467 0.88 PTGDR2 (0.38) CHRM3CHRM2PTGDR2OPRM1SIGMAR1
SCHEMBL11571464 0.74 CHRM2 (0.40) CHRM3CHRM2ATMSLC18A3L3MBTL1
SCHEMBL26879524 0.70 SLC18A3 (0.50) ATMSLC18A3L3MBTL1ALDH1A1KDM4E
SCHEMBL11456753 0.68 LMNA (0.45) CHRM3CHRM2PTGDR2ATML3MBTL1
SCHEMBL11344671 0.66 ALDH1A1 (0.36) CHRM3CHRM2L3MBTL1OPRM1SIGMAR1
SCHEMBL11438366 0.65 KMT2A (0.40) CHRM3CHRM2PTGDR2OPRM1SIGMAR1
SCHEMBL3375958 0.65 GRIN2B (0.60) SLC18A3L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL11331790 0.65 ALDH1A1 (0.47) CHRM3CHRM2PTGDR2ATMSLC18A3
SCHEMBL20063747 0.65 SLC18A3 (0.68) SLC18A3L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL16544565 0.63 SLC18A3 (0.45) SLC18A3OPRM1ALDH1A1MEN1KMT2A

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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