SCHEMBL9448043

SCHEMBL9448043

COc1ccc2c(c1)CCC1C(Cc3ccccc3)NCC21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.48
▸ GRIN2B Q13224 4/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9448048 1.00 NPY5R (0.48) NPY5RGRIN2BGRIN1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL9448267 0.99 NPY5R (0.48) NPY5RGRIN2BGRIN1SIGMAR1HTR1A
SCHEMBL9448182 0.94 NPY5R (0.46) NPY5RGRIN2BGRIN1LMNAMAPT
SCHEMBL9448186 0.94 NPY5R (0.46) NPY5RGRIN2BGRIN1LMNAMAPT
SCHEMBL9447972 0.93 EED (0.46) NPY5RLMNAMAPTHSD17B1RECQL
SCHEMBL9448327 0.90 NPY5R (0.48) NPY5RGRIN2BGRIN1SIGMAR1HTR1A
SCHEMBL9448134 0.89 LMNA (0.41) NPY5RLMNAMAPTHSD17B1RECQL
SCHEMBL9448098 0.89 LMNA (0.41) NPY5RLMNAMAPTHSD17B1RECQL
SCHEMBL9448094 0.89 LMNA (0.41) NPY5RLMNAMAPTHSD17B1RECQL
Hydrochloric Acid SCHEMBL9447857 0.88 LMNA (0.40) NPY5RLMNAMAPTHSD17B1RECQL

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 3 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
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 — — EP disclosed
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