SCHEMBL9013886

SCHEMBL9013886

CC(=O)N1CCC(Oc2ccc(N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.53
GFER P55789 1/20 0.53
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
CHEK2 O96017 1/20 0.52
NAMPT P43490 1/20 0.51
HRH3 Q9Y5N1 3/20 0.48
MAPT P10636 1/20 0.48
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
RORC P51449 1/20 0.47
IKBKB O14920 1/20 0.47
OXTR P30559 2/20 0.47
AVPR1A P37288 1/20 0.47
KMT2A Q03164 1/20 0.46
SRD5A1 P18405 1/20 0.46
PARP10 Q53GL7 1/20 0.45
SRD5A2 P31213 1/20 0.45

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
Hydrochloric Acid SCHEMBL9014030 0.98 CASP6 (0.51) CASP6GFERCYP4F2CYP4A11CHEK2
SCHEMBL16823226 0.91 NAMPT (0.53) CASP6GFERCYP4F2CYP4A11CHEK2
SCHEMBL16532744 0.91 NAMPT (0.53) CASP6GFERCYP4F2CYP4A11CHEK2
SCHEMBL16220677 0.87 EPHX2 (0.56) CYP4F2CYP4A11CHEK2NAMPTHRH3
SCHEMBL18672909 0.86 MEN1 (0.56) CYP4F2CYP4A11CHEK2NAMPTHRH3
SCHEMBL24596887 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CHEK2NAMPTHRH3
SCHEMBL2096831 0.86 EPHX2 (0.55) CYP4F2CYP4A11CHEK2NAMPT
SCHEMBL31370640 0.86 ALDH1A1 (0.55) CYP4F2CYP4A11CHEK2NAMPTHRH3
SCHEMBL213590 0.85 SRD5A1 (0.50) HRH3KMT2ASRD5A1PARP10SRD5A2
SCHEMBL14413530 0.85 PARP10 (0.50) CHEK2HRH3KMT2ASRD5A1PARP10

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
WO-2022146201-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS JOINT STOCK COMPANY "BIOCAD" (RU) 2022-07-07 WO disclosed
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed