SCHEMBL22047673

SCHEMBL22047673

CC(C)(C)CN1CCC(N2CCN(I)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL12772414 0.82 HRH3 (0.42) HRH3RECQLALDH1A1
SCHEMBL18032442 0.82 HRH3 (0.39) HRH3SMN1; SMN2RECQLALDH1A1
SCHEMBL22304541 0.82 TRPV6 (0.37) KMT2AALDH1A1
SCHEMBL18591795 0.81 SIGMAR1 (0.34) KMT2AHRH3SMN1; SMN2RECQLALDH1A1
SCHEMBL13656169 0.81 HRH3 (0.44) HRH3RECQLALDH1A1
SCHEMBL23334402 0.79 ALDH1A1 (0.37) KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL20805308 0.79 HRH3 (0.35) KMT2AHRH3
SCHEMBL18551162 0.79 KMT2A (0.50) KMT2ASMN1; SMN2RECQL
SCHEMBL18177837 0.79 SIGMAR1 (0.41) KMT2AALDH1A1
SCHEMBL15696998 0.79 SIGMAR1 (0.38) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed