SCHEMBL14143311

SCHEMBL14143311

CO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)N(C(=O)Nc2ccc(N)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ F10 P00742 4/20 0.44
▸ F11 P03951 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL3830346 0.90 F10 (0.53) ALDH1A1HPGDF10SMN1; SMN2MAPT
SCHEMBL8467270 0.81 SMN1; SMN2 (0.46) F10CYP2C9SMN1; SMN2CYP2C19RAB9A
SCHEMBL3830434 0.80 F10 (0.55) ALDH1A1F10SMN1; SMN2NPC1RAB9A
SCHEMBL5829868 0.80 F10 (0.64) HPGDF10
SCHEMBL3830301 0.80 F10 (0.63) ALDH1A1HPGDF10SMN1; SMN2NPC1
SCHEMBL3835344 0.80 F10 (0.49) ALDH1A1HPGDF10SMN1; SMN2RAB9A
SCHEMBL3830318 0.80 F10 (0.65) F10MAPT
SCHEMBL3833960 0.78 F10 (0.48) ALDH1A1F10SMN1; SMN2RAB9APOLB
SCHEMBL3832358 0.77 F10 (0.51) ALDH1A1HPGDF10SMN1; SMN2RAB9A
SCHEMBL4101719 0.77 F10 (0.60) ALDH1A1F10CYP2C9CYP2C19POLB

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-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 — — EP disclosed
Send feedback