SCHEMBL4067962

SCHEMBL4067962

CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.53
METAP2 P50579 5/20 0.42
METAP1 P53582 3/20 0.42
CCR1 P32246 4/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL7367047 0.90 REN (0.55) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL27692376 0.89 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL9876283 0.89 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL4065186 0.88 REN (0.55) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL27673691 0.87 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL7360375 0.87 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL10676905 0.87 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL4066009 0.87 REN (0.40) RENMETAP2METAP1CCR1PSEN1
SCHEMBL9683843 0.83 REN (0.69) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9684516 0.83 REN (0.69) RENMETAP2METAP1ALDH1A1KMT2A

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-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP claimed