SCHEMBL30164028

SCHEMBL30164028

CC(C)Oc1ccc(C#N)c(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.38
XDH P47989 2/20 0.37
POLB P06746 1/20 0.37
NOS2 P35228 1/20 0.36
PTGDR Q13258 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PARP10 Q53GL7 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 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
SCHEMBL18621626 0.85 LMNA (0.37) CYP11B1CYP11B2ALDH1A1NOS2KMT2A
SCHEMBL3045111 0.83 NOS2 (0.50) ALDH1A1POLBNOS2KMT2AMAOB
SCHEMBL17871737 0.79 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1XDHKMT2A
SCHEMBL24074650 0.77 AR (0.46) CYP11B1CYP11B2ALDH1A1XDHKMT2A
SCHEMBL2585218 0.76 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1XDHPOLB
SCHEMBL11963251 0.76 CYP11B1 (0.61) CYP11B1CYP11B2ALDH1A1XDH
SCHEMBL177449 0.76 AR (0.53) CYP11B1CYP11B2ALDH1A1XDH
SCHEMBL6942725 0.75 ACACB (0.41) ALDH1A1KMT2AMAOAMAOB
SCHEMBL20767348 0.75 AR (0.59) CYP11B1CYP11B2ALDH1A1POLBNOS2
SCHEMBL12180757 0.74 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1XDHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed