SCHEMBL1924296

SCHEMBL1924296

NC[C@]1(CC(=O)O)C[C@H]2CCCC21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.30
POLB P06746 1/20 0.30
PEPD P12955 1/20 0.30

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
SCHEMBL3151603 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3686565 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3152635 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13450787 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL14547320 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL7628296 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3156153 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3147308 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL21622002 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL121350 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP claimed
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP claimed
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
EP-3004100-B1 POLYMORPH FORMS RAQUALIA PHARMA INC (JP) 2018-06-27 EP disclosed
EP-2291403-B1 TREATMENT OF CHRONIC PROSTATITIS PFIZER (US) 2017-11-15 EP disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP disclosed
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP disclosed
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed