SCHEMBL7368780

SCHEMBL7368780

CC(C)C[C@H](NCC1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX1 P07099 3/20 0.40
CPA1 P15085 1/20 0.39
CPB2 Q96IY4 2/20 0.38
FOLH1 Q04609 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 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
SCHEMBL7043148 1.00 BCHE (0.47) BCHEALDH1A1KMT2AMEN1LMNA
SCHEMBL7364310 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7368844 0.81 KMT2A (0.40) BCHEALDH1A1KMT2AMEN1LMNA
SCHEMBL4621301 0.81 CYP2D6 (0.43) KMT2ACYP2D6EPHX1CA12CA1
SCHEMBL3102110 0.81 CYP2D6 (0.43) KMT2ACYP2D6EPHX1CA12CA1
SCHEMBL4620172 0.81 CYP2D6 (0.43) KMT2ACYP2D6EPHX1CA12CA1
SCHEMBL5725198 0.80 SMN1; SMN2 (0.43) BCHEKMT2AMEN1CYP2D6EPHX1
SCHEMBL7369200 0.80 ALDH1A1 (0.45) BCHEALDH1A1KMT2AMEN1LMNA
SCHEMBL4620202 0.79 LTA4H (0.47) KMT2AMEN1CYP2D6EPHX1CA12
SCHEMBL4619210 0.79 LTA4H (0.47) KMT2AMEN1CYP2D6EPHX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed