SCHEMBL10614529

SCHEMBL10614529

NCc1ccccc1CC1(O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
OPRL1 P41146 5/20 0.40
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
PNMT P11086 1/20 0.36
DPP4 P27487 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7105614 0.81 USP2 (0.41) USP2TSHRDPP4
SCHEMBL7101911 0.81 USP2 (0.41) USP2TSHRDPP4
SCHEMBL4556660 0.79 TSHR (0.39) USP2TSHROPRL1OPRM1OPRD1
SCHEMBL5348277 0.78 GRIN2B (0.41) USP2TSHR
SCHEMBL10192225 0.78 ALDH1A1 (0.44) USP2TSHRSLC6A4SLC6A3
SCHEMBL10191864 0.78 ALDH1A1 (0.44) USP2TSHRSLC6A4SLC6A3
SCHEMBL25428476 0.76 NPC1 (0.41) USP2TSHROPRL1OPRM1
SCHEMBL7108350 0.76 FDPS (0.36) USP2TSHROPRL1OPRM1OPRD1
SCHEMBL7393721 0.74 OPRL1 (0.39) USP2TSHROPRL1SLC6A2SLC6A4
SCHEMBL6942515 0.74 POLB (0.46) USP2TSHRSLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761501-A INTERMEDIATES FOR ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-02 US disclosed
EP-0112669-B1 PHENETHYLAMINE DERIVATIVES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-29 EP disclosed
US-4611078-A ANTIDEPRESSANT INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-09 US disclosed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 US disclosed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP disclosed