SCHEMBL8902843

SCHEMBL8902843

CCC(C=O)N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 6/20 0.34
SIGMAR1 Q99720 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRM1 P35372 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8904323 0.80 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL12522742 0.78 MAPT (0.32)
SCHEMBL28751323 0.78 GNAO1 (0.40) SIGMAR1
SCHEMBL18995440 0.78 SLC6A2 (0.31) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL23668191 0.77 HTR1A (0.31) SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL20463232 0.76
SCHEMBL15515534 0.75 ALDH1A1 (0.40) KMT2A
SCHEMBL15710892 0.73 OPRD1 (0.35) SLC6A2SLC6A4OPRD1SIGMAR1CHRM5
SCHEMBL3928119 0.72 SIGMAR1 (0.33) SLC6A2SLC6A4OPRD1SIGMAR1CHRM5
SCHEMBL15711176 0.72 POLB (0.32) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
US-5610315-A Process for the preparation of 6,7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-03-11 US disclosed
US-5484954-A HEATING, DEACYLATING NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-B1 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1994-01-19 EP disclosed
US-5245052-A PROCESS FOR PRODUCING 6-ACYL-7-DEACETYLFORSKOLIN DERIVATIVES NIPPON KAYAKU CO. LTD. (JP) 1993-09-14 US disclosed
CN-1016869-B Process for preparing 6, 7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1992-06-03 CN disclosed
EP-0469428-A1 Novel process for producing 6-acyl-7-deacetylforskolin derivatives HOECHST JAPAN LIMITED (JP) 1992-02-05 EP disclosed
CN-1030583-A Preparation 6,7-diacyl-7-takes off the novel method of acetyl forskrine derivant NIPPON KAYAKU KK (JP) 1989-01-25 CN disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed
US-4093812-A MICROBIOCIDES, DISINFECTANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1978-06-06 US disclosed