SCHEMBL14040657

SCHEMBL14040657

CC(C)(C)NC(=O)C1(CC2CC2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.41
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 5/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
PLAU P00749 1/20 0.31
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
ATM Q13315 1/20 0.31
MITF O75030 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14040646 0.94 MC4R (0.42) MC4RKMT2AALDH1A1HTTNPSR1
SCHEMBL25226033 0.80 KDM4E (0.34) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL25222133 0.79 KDM4E (0.33) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13281154 0.74 GABRA5 (0.35) KMT2AKDM4E
SCHEMBL7921878 0.71 EPHX1 (0.44) KMT2AKDM4EALDH1A1MITFSMN1; SMN2
SCHEMBL25229077 0.71 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HTTNPSR1
SCHEMBL378774 0.70 POLB (0.47) KMT2AALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL23539591 0.69 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1HTTNPSR1
SCHEMBL18935464 0.69 KDM4E (0.40) KMT2AKDM4EALDH1A1HTTNPSR1
SCHEMBL7910450 0.69 ATM (0.61) MC4RKMT2AALDH1A1ATMSMN1; SMN2

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-1411940-B1 BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2008-10-15 EP disclosed