SCHEMBL11629977

SCHEMBL11629977

O=C1c2cccc3cccc(c23)C(O)N1CCCCCN1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ DRD2 P14416 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTR7 P34969 3/20 0.42
▸ CCR3 P51677 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11630996 1.00 SIGMAR1 (0.46) SIGMAR1DRD2L3MBTL1HTR7CCR3
SCHEMBL11629536 0.99 SIGMAR1 (0.46) SIGMAR1DRD2L3MBTL1HTR7CCR3
SCHEMBL11634992 0.93 L3MBTL1 (0.53) SIGMAR1DRD2L3MBTL1HTR7OPRL1
SCHEMBL11634977 0.84 L3MBTL1 (0.47) DRD2L3MBTL1CCR3OPRL1CCR1
SCHEMBL11804225 0.82 DRD2 (0.57) SIGMAR1DRD2HTR7HTR1AHTR2A
SCHEMBL11807499 0.82 DRD2 (0.57) SIGMAR1DRD2HTR7HTR1AHTR2A
SCHEMBL11631445 0.82 SIGMAR1 (0.47) SIGMAR1L3MBTL1HTR7MEN1KMT2A
SCHEMBL11629868 0.82 SIGMAR1 (0.47) SIGMAR1L3MBTL1HTR7MEN1KMT2A
SCHEMBL11630627 0.82 HTR7 (0.61) DRD2L3MBTL1HTR7HTR1AHTR2A
SCHEMBL11633969 0.82 L3MBTL1 (0.47) DRD2L3MBTL1MEN1ALDH1A1LMNA

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-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
Send feedback