SCHEMBL9448102

SCHEMBL9448102

c1ccc(CC2NCCC3c4ccccc4CCC23)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ CYP11B2 P19099 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ADRB2 P07550 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
SCHEMBL9447973 0.91 SLC22A1 (0.43) PRCPSLC22A1GAA
SCHEMBL9447918 0.87 SLC22A1 (0.49) PRCPSLC22A1CYP11B2SIGMAR1HTR6
SCHEMBL9448327 0.82 NPY5R (0.48) SIGMAR1
SCHEMBL9849844 0.81 HTR1A (0.43) PRCPCYP11B2SIGMAR1
SCHEMBL9447923 0.78 SLC22A1 (0.43) PRCPSLC22A1CYP11B2SIGMAR1HTR6
SCHEMBL9447914 0.78 SLC22A1 (0.43) PRCPSLC22A1CYP11B2SIGMAR1HTR6
SCHEMBL9447970 0.78 SLC22A1 (0.43) PRCPSLC22A1CYP11B2SIGMAR1HTR6
Hydrochloric Acid SCHEMBL9448342 0.77 SLC22A1 (0.42) PRCPSLC22A1CYP11B2SIGMAR1HTR6
SCHEMBL9448312 0.77 PRCP (0.42) PRCPSLC22A1CYP11B2SIGMAR1HTR6
Hydrochloric Acid SCHEMBL9448436 0.77 SLC22A1 (0.42) PRCPSLC22A1CYP11B2SIGMAR1HTR6

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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