SCHEMBL21964342

SCHEMBL21964342

O=C(N1CCCC1)C1(c2ccc(OCF)cc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.41
GRIA2 P42262 1/20 0.41

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
SCHEMBL21965012 0.91 HSD11B1 (0.55) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21961586 0.81 CYP3A4 (0.80) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21874064 0.81 KMT2A (0.68) MEN1KMT2ACYP3A4CYP2C19ALDH1A1
SCHEMBL21961616 0.80 CYP3A4 (0.78) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21964271 0.80 CYP3A4 (0.78) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21965003 0.78 CYP3A4 (0.75) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21964330 0.76 HSD11B1 (0.69) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL26022096 0.76 HSD11B1 (0.50) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL351050 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL350439 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1TSHR

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-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed