SCHEMBL9447871

SCHEMBL9447871

COc1cccc(C[C@H]2NC[C@H]3c4ccccc4CCC23)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 1/20 0.45
▸ GID4 Q8IVV7 1/20 0.43
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ DRD1 P21728 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
SCHEMBL9447869 1.00 EED (0.45) EEDGID4HCRTR1HCRTR2CHRM4
Hydrochloric Acid SCHEMBL9448271 0.99 EED (0.44) EEDGID4HCRTR1HCRTR2CHRM4
Hydrochloric Acid SCHEMBL9448278 0.99 EED (0.44) EEDGID4HCRTR1HCRTR2CHRM4
SCHEMBL9447972 0.92 EED (0.46) EEDCHRM4DRD2HTR7SLC6A4
SCHEMBL9448043 0.88 NPY5R (0.48) HTR1ASIGMAR1
SCHEMBL9448048 0.88 NPY5R (0.48) HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL9448267 0.87 NPY5R (0.48) HTR1ASIGMAR1
SCHEMBL9448224 0.85 PRCP (0.36) OPRM1SIGMAR1
SCHEMBL9447997 0.85 PRCP (0.36) OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL9448301 0.84 OPRM1 (0.36) OPRM1SIGMAR1

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-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 — — US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 — — US disclosed
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