SCHEMBL9448134

SCHEMBL9448134

COc1ccc2c(c1)CCC1[C@@H]2CN[C@@H]1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ STS P08842 2/20 0.39
▸ SRD5A1 P18405 2/20 0.39
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL9448098 1.00 LMNA (0.41) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9448094 1.00 LMNA (0.41) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL9447857 0.99 LMNA (0.40) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL9447861 0.99 LMNA (0.40) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9447972 0.91 EED (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9448043 0.89 NPY5R (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9448048 0.89 NPY5R (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL9448267 0.88 NPY5R (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9447915 0.85 STS (0.38) STS
SCHEMBL9447922 0.85 STS (0.38) STS

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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