SCHEMBL9447997

SCHEMBL9447997

Cc1cccc(CC2NCC3c4ccccc4CCC23)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ STS P08842 1/20 0.34
▸ HSD17B1 P14061 1/20 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
SCHEMBL9448224 1.00 PRCP (0.36) PRCPSLC22A1OPRM1OPRK1PDPK1
Hydrochloric Acid SCHEMBL9448304 0.99 OPRM1 (0.36) PRCPSLC22A1OPRM1OPRK1PDPK1
Hydrochloric Acid SCHEMBL9448301 0.99 OPRM1 (0.36) PRCPSLC22A1OPRM1OPRK1PDPK1
SCHEMBL9447918 0.86 SLC22A1 (0.49) PRCPSLC22A1PDPK1HTR6SIGMAR1
SCHEMBL9447915 0.86 STS (0.38) PRCPSLC22A1OPRM1SIGMAR1STS
SCHEMBL9447922 0.86 STS (0.38) PRCPSLC22A1OPRM1SIGMAR1STS
SCHEMBL9448240 0.86 FADS1 (0.41) PRCPSLC22A1OPRM1OPRK1SIGMAR1
SCHEMBL9447869 0.85 EED (0.45) OPRM1SIGMAR1
SCHEMBL9447871 0.85 EED (0.45) OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL9448069 0.85 STS (0.38) PRCPSLC22A1OPRM1SIGMAR1STS

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
Send feedback