SCHEMBL9517016

SCHEMBL9517016

O=COC1Cc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.41
MTNR1B P49286 9/20 0.41
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 6/20 0.33
OPRK1 P41145 6/20 0.33
OPRL1 P41146 6/20 0.33
KDM4E B2RXH2 2/20 0.33
OPRD1 P41143 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1618606 0.83 MTNR1A (0.38) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL28203671 0.81 MTNR1A (0.41) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL27706798 0.78 MTNR1A (0.38) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL27777726 0.77 MTNR1A (0.44) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL28374346 0.77 MTNR1A (0.41) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL21117245 0.74 MTNR1A (0.46) MTNR1AMTNR1BOPRM1OPRK1OPRL1
SCHEMBL10267902 0.74 MTNR1A (0.52) MTNR1AMTNR1BKDM4E
SCHEMBL69175 0.74 MTNR1A (0.43) MTNR1AMTNR1BOPRM1OPRK1OPRL1
SCHEMBL31213979 0.74 MTNR1A (0.44) MTNR1AMTNR1BCYP3A4TSHROPRM1
SCHEMBL4590484 0.74 MTNR1A (0.44) MTNR1AMTNR1BCYP3A4TSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103130211-B The preparation method of Graphene XIDIAN UNIVERSITY (CN) 2015-10-21 CN claimed
CN-103130211-A Preparation method of graphene UNIV XIDIAN 2013-06-05 CN claimed
CN-103130211-B The preparation method of Graphene XIDIAN UNIVERSITY (CN) 2015-10-21 CN disclosed
CN-103130211-A Preparation method of graphene UNIV XIDIAN 2013-06-05 CN disclosed
EP-2463714-A1 Basic compound, chemically amplified resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
EP-0380063-B1 1,2-CYCLOHEXYLAMINOARYL AMIDES USEFUL AS ANALGESIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-07-21 EP disclosed
US-5019588-A Nonhabit-forming analgeiscs WARNER-LAMBERT COMPANY (US) 1991-05-28 US disclosed
EP-0380063-A1 1,2-cyclohexylaminoaryl amides useful as analgesic agents WARNER-LAMBERT COMPANY (US) 1990-08-01 EP disclosed
US-4906655-A Novel 1,2-cyclohexylaminoaryl amides useful as analgesic agents WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed