SCHEMBL6965580

SCHEMBL6965580

COc1ccccc1C1CCC(N2CC(C(N)=O)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
TRPV6 Q9H1D0 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR2C P28335 2/20 0.48
CHRM4 P08173 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD2 P14416 1/20 0.45
CHRM2 P08172 1/20 0.44

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 SCHEMBL7967912 0.99 MEN1 (0.51) MEN1KMT2ATRPV6KDM4EALDH1A1
SCHEMBL6965583 0.83 TRPV6 (0.53) MEN1KMT2ATRPV6KDM4EALDH1A1
SCHEMBL6960626 0.83 PTGDR2 (0.61) GLA
SCHEMBL6966668 0.81 PTGDR2 (0.46) MEN1KMT2ACHRM4CHRM1DRD2
SCHEMBL6964976 0.77 KDM4E (0.44) KDM4EGAA
SCHEMBL8747216 0.77 HTR2C (0.62) MEN1KMT2AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL6956254 0.76 KDM4E (0.43) KDM4EGAA
SCHEMBL1515163 0.76 HTR2C (0.75) MEN1KMT2ATRPV6HTR2CDRD2
SCHEMBL14412952 0.75 MEN1 (0.71) MEN1KMT2AALDH1A1HTR2CCHRM4
SCHEMBL4253600 0.75 ABCB1 (0.72) MEN1KMT2ATRPV6HTR2CCHRM4

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
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed