SCHEMBL9447918

SCHEMBL9447918

c1ccc(CC2NCC3c4ccccc4CCC23)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 1/20 0.49
▸ PRCP P42785 1/20 0.49
▸ CYP11B2 P19099 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ GRIN2B Q13224 1/20 0.38
▸ PDPK1 O15530 1/20 0.37

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
SCHEMBL9448312 0.89 PRCP (0.42) SLC22A1PRCPCYP11B2HTR6SIGMAR1
SCHEMBL9448102 0.87 PRCP (0.51) SLC22A1PRCPCYP11B2HTR6SIGMAR1
SCHEMBL9447922 0.86 STS (0.38) SLC22A1PRCPCYP11B2SIGMAR1
SCHEMBL9448240 0.86 FADS1 (0.41) SLC22A1PRCPSIGMAR1
SCHEMBL9447915 0.86 STS (0.38) SLC22A1PRCPCYP11B2SIGMAR1
SCHEMBL9447997 0.86 PRCP (0.36) SLC22A1PRCPHTR6SIGMAR1PDPK1
SCHEMBL9448224 0.86 PRCP (0.36) SLC22A1PRCPHTR6SIGMAR1PDPK1
Hydrochloric Acid SCHEMBL9448304 0.85 OPRM1 (0.36) SLC22A1PRCPHTR6SIGMAR1PDPK1
Hydrochloric Acid SCHEMBL9448301 0.85 OPRM1 (0.36) SLC22A1PRCPHTR6SIGMAR1PDPK1
Hydrochloric Acid SCHEMBL9448069 0.85 STS (0.38) SLC22A1PRCPSIGMAR1

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