SCHEMBL27957697

SCHEMBL27957697

Cc1cc(Cl)ccc1C1CCN(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 16/20 0.46
AVPR1A P37288 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
AGTR1 P30556 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HSD11B1 P28845 1/20 0.38

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
SCHEMBL16954068 0.84 TAAR1 (0.47) PROKR1TAAR1
SCHEMBL22137696 0.79 PROKR1 (0.47) PROKR1TAAR1
SCHEMBL22063790 0.78 EPHX2 (0.54) PROKR1AVPR1A
SCHEMBL5584494 0.76 HTR2C (0.58)
SCHEMBL20083410 0.76 TAAR1 (0.45) PROKR1TAAR1
SCHEMBL14401199 0.75 STS (0.53) GAA
SCHEMBL1821499 0.73 GAA (0.51) PROKR1GAATSHRAGTR1
SCHEMBL1822952 0.71 PROKR1 (0.46) PROKR1GAATSHRAGTR1HSD11B1
SCHEMBL7957634 0.71 ALDH1A1 (0.50) PROKR1
SCHEMBL4969638 0.69 OPRL1 (0.47) GAATSHRAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 CN disclosed
CN-1585772-B chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC 2014-06-04 CN disclosed