SCHEMBL9826749

SCHEMBL9826749

COc1ccc(CC[Mg]I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
MAOB P27338 2/20 0.50
CALM1 P0DP23 2/20 0.50
AOC3 Q16853 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
IDO1 P14902 2/20 0.48
F2RL1 P55085 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL834551 0.79 TAAR1 (0.73) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL1295195 0.79 TAAR1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL1797282 0.79 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL5254359 0.78 IDO1 (0.52) TAAR1MAOBCALM1IDO1CA12
SCHEMBL178692 0.78 TAAR1 (0.64) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL7544110 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL6835490 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL9826743 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL250274 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL4254058 0.75 CALM1 (0.72) TAAR1MAOBCALM1AOC3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed