SCHEMBL6965583

SCHEMBL6965583

COc1ccccc1C1CCC(N2CC(N)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.53
HTR2C P28335 2/20 0.53
DRD2 P14416 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ABCB1 P08183 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6965580 0.83 MEN1 (0.52) TRPV6HTR2CDRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL7967912 0.82 MEN1 (0.51) TRPV6HTR2CDRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL11841283 0.81 HTR2C (0.65) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL1515163 0.80 HTR2C (0.75) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL4253607 0.79 ABCB1 (0.72) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL4253600 0.79 ABCB1 (0.72) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL12897171 0.77 KDM4E (0.60) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL12896884 0.77 TRPV6 (0.56) TRPV6HTR2CDRD2MEN1KMT2A
SCHEMBL12635240 0.76 HTR2C (0.56) HTR2CDRD2MEN1KMT2AKDM4E
SCHEMBL12896451 0.76 MEN1 (0.59) TRPV6HTR2CDRD2MEN1KMT2A

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